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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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_336_wt-84ba688c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10_336_wt-84ba688c/inputs/seq.fa: 1
curr_seq: _UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUCACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUGGAGCU
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 50 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: 255
n_atoms_counter: 255
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.((((...(((((....)))))..(((....))).(((....)))))))._
nucl1: 12, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 9, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 8, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 26, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 25, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 24, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 4, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 3, chain1: 0, <---> nucl2: 46, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 46
nucl1: 2, chain1: 0, <---> nucl2: 47, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 47
nucl1: 1, chain1: 0, <---> nucl2: 48, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 48
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 50.000000 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: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_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: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_DIST_RNA)
chem. 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: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_DIST_RNA)
chem. 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: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_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: 190.304363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 190.304363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228958 (E_RNA)
where:
Base-Base interactions energy: -6.283
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.000
local terms energy: -194.945685
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 391.533 (S_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: -460.800685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.800685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.580809 (E_RNA)
where:
Base-Base interactions energy: -308.878
where: short stacking energy: -124.799
Base-Backbone interact. energy: -0.805
local terms energy: -157.897617
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -33.794
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -28.427
Dist. restrs. and SS energy: 6.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -416.700312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.700312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.246148 (E_RNA)
where:
Base-Base interactions energy: -282.186
where: short stacking energy: -110.979
Base-Backbone interact. energy: -0.619
local terms energy: -135.440449
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -402.321945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.321945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.984763 (E_RNA)
where:
Base-Base interactions energy: -284.574
where: short stacking energy: -101.239
Base-Backbone interact. energy: -0.367
local terms energy: -119.043983
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -415.640447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.640447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.839835 (E_RNA)
where:
Base-Base interactions energy: -299.837
where: short stacking energy: -124.102
Base-Backbone interact. energy: 0.364
local terms energy: -122.366771
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 6.199 (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: 2
Temperature: 1.100000
Total energy: -409.823158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.823158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.470860 (E_RNA)
where:
Base-Base interactions energy: -286.004
where: short stacking energy: -110.086
Base-Backbone interact. energy: -0.905
local terms energy: -131.562013
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 8.648 (S_DIST_RNA)
chem. 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: -424.310994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.310994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.181874 (E_RNA)
where:
Base-Base interactions energy: -299.993
where: short stacking energy: -103.315
Base-Backbone interact. energy: -1.654
local terms energy: -123.535675
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -367.456498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.456498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.624326 (E_RNA)
where:
Base-Base interactions energy: -258.634
where: short stacking energy: -100.748
Base-Backbone interact. energy: -1.242
local terms energy: -110.748828
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 3.168 (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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -360.743384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.743384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.122004 (E_RNA)
where:
Base-Base interactions energy: -241.165
where: short stacking energy: -93.995
Base-Backbone interact. energy: -2.586
local terms energy: -120.371300
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 3.379 (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: 2
Temperature: 1.300000
Total energy: -330.274198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.274198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.565323 (E_RNA)
where:
Base-Base interactions energy: -216.657
where: short stacking energy: -80.410
Base-Backbone interact. energy: 0.104
local terms energy: -122.012865
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 8.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -347.325034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.325034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.225748 (E_RNA)
where:
Base-Base interactions energy: -247.339
where: short stacking energy: -96.518
Base-Backbone interact. energy: -1.130
local terms energy: -103.756946
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 4.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -482.901933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.901933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.630058 (E_RNA)
where:
Base-Base interactions energy: -319.961
where: short stacking energy: -134.402
Base-Backbone interact. energy: -0.399
local terms energy: -164.269957
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -37.173
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -35.518
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -455.831450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.831450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.719032 (E_RNA)
where:
Base-Base interactions energy: -313.791
where: short stacking energy: -118.481
Base-Backbone interact. energy: -0.093
local terms energy: -142.834967
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -40.929
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -440.501744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.501744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.097903 (E_RNA)
where:
Base-Base interactions energy: -290.302
where: short stacking energy: -124.321
Base-Backbone interact. energy: 0.262
local terms energy: -152.057286
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -444.881086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.881086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.940435 (E_RNA)
where:
Base-Base interactions energy: -296.140
where: short stacking energy: -118.602
Base-Backbone interact. energy: -0.121
local terms energy: -151.679371
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. 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: -450.653572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.653572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.960874 (E_RNA)
where:
Base-Base interactions energy: -307.001
where: short stacking energy: -129.157
Base-Backbone interact. energy: -1.465
local terms energy: -145.494755
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 3.307 (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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -456.698605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.698605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.822881 (E_RNA)
where:
Base-Base interactions energy: -314.505
where: short stacking energy: -123.396
Base-Backbone interact. energy: -1.093
local terms energy: -141.225005
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -433.982801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.982801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.539322 (E_RNA)
where:
Base-Base interactions energy: -284.688
where: short stacking energy: -112.609
Base-Backbone interact. energy: -0.715
local terms energy: -151.136573
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 2.557 (S_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: -395.562431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.562431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.851266 (E_RNA)
where:
Base-Base interactions energy: -269.180
where: short stacking energy: -99.314
Base-Backbone interact. energy: 0.911
local terms energy: -129.582155
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -37.362
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -432.804814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.804814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.105346 (E_RNA)
where:
Base-Base interactions energy: -303.025
where: short stacking energy: -119.341
Base-Backbone interact. energy: -0.553
local terms energy: -129.527942
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -32.625
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -412.924952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.924952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.499692 (E_RNA)
where:
Base-Base interactions energy: -294.205
where: short stacking energy: -105.952
Base-Backbone interact. energy: 2.566
local terms energy: -121.860623
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -23.411
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -509.035712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.035712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.356418 (E_RNA)
where:
Base-Base interactions energy: -358.475
where: short stacking energy: -135.309
Base-Backbone interact. energy: -0.108
local terms energy: -151.773480
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -40.391
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -32.943
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: -456.911071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.911071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.722884 (E_RNA)
where:
Base-Base interactions energy: -302.257
where: short stacking energy: -115.754
Base-Backbone interact. energy: -0.208
local terms energy: -156.258206
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -28.515
Dist. restrs. and SS energy: 1.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -458.482623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.482623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.714964 (E_RNA)
where:
Base-Base interactions energy: -312.158
where: short stacking energy: -121.363
Base-Backbone interact. energy: -0.315
local terms energy: -147.241661
where:
bonds (distance) C4'-P energy: -30.011
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -31.133
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -439.491964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.491964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.736274 (E_RNA)
where:
Base-Base interactions energy: -300.060
where: short stacking energy: -115.445
Base-Backbone interact. energy: -2.949
local terms energy: -137.727381
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -480.451296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.451296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.715865 (E_RNA)
where:
Base-Base interactions energy: -333.346
where: short stacking energy: -134.654
Base-Backbone interact. energy: -0.869
local terms energy: -146.501334
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -32.812
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -467.466497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.466497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.801262 (E_RNA)
where:
Base-Base interactions energy: -324.572
where: short stacking energy: -130.015
Base-Backbone interact. energy: 1.682
local terms energy: -144.911131
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -31.600
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -417.880622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.880622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.608668 (E_RNA)
where:
Base-Base interactions energy: -297.408
where: short stacking energy: -114.882
Base-Backbone interact. energy: 2.140
local terms energy: -123.340862
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -389.893201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.893201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.558856 (E_RNA)
where:
Base-Base interactions energy: -246.504
where: short stacking energy: -98.761
Base-Backbone interact. energy: -0.859
local terms energy: -146.195573
where:
bonds (distance) C4'-P energy: -36.052
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 3.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -428.004663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.004663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.273400 (E_RNA)
where:
Base-Base interactions energy: -306.857
where: short stacking energy: -113.482
Base-Backbone interact. energy: 0.568
local terms energy: -121.984059
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -21.036
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -409.719681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.719681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.467275 (E_RNA)
where:
Base-Base interactions energy: -292.683
where: short stacking energy: -113.346
Base-Backbone interact. energy: -1.256
local terms energy: -116.527802
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -35.068
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -518.209649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.209649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.536524 (E_RNA)
where:
Base-Base interactions energy: -351.758
where: short stacking energy: -131.798
Base-Backbone interact. energy: -0.129
local terms energy: -167.649527
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -483.223263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.971371 (E_RNA)
where:
Base-Base interactions energy: -331.712
where: short stacking energy: -143.011
Base-Backbone interact. energy: -0.308
local terms energy: -155.950840
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -33.844
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 4.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -472.295598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.295598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.458447 (E_RNA)
where:
Base-Base interactions energy: -312.854
where: short stacking energy: -114.990
Base-Backbone interact. energy: -0.305
local terms energy: -162.298581
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -39.287
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -33.495
Dist. restrs. and SS energy: 3.163 (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: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -500.909735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.909735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.061325 (E_RNA)
where:
Base-Base interactions energy: -343.631
where: short stacking energy: -126.051
Base-Backbone interact. energy: -0.689
local terms energy: -156.741476
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -38.512
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -29.902
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: 5
Temperature: 1.100000
Total energy: -412.745144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.745144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.512661 (E_RNA)
where:
Base-Base interactions energy: -283.961
where: short stacking energy: -117.419
Base-Backbone interact. energy: 0.206
local terms energy: -135.757400
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: 6.768 (S_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: 5
Temperature: 1.150000
Total energy: -473.438772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.438772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.720675 (E_RNA)
where:
Base-Base interactions energy: -328.768
where: short stacking energy: -120.899
Base-Backbone interact. energy: 1.121
local terms energy: -146.073865
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -31.173
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -448.623609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.623609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.223472 (E_RNA)
where:
Base-Base interactions energy: -312.154
where: short stacking energy: -124.028
Base-Backbone interact. energy: -0.307
local terms energy: -136.762041
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -30.103
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -462.929132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.929132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.404594 (E_RNA)
where:
Base-Base interactions energy: -320.632
where: short stacking energy: -127.195
Base-Backbone interact. energy: -0.967
local terms energy: -141.805116
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -32.632
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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -377.314464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.314464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.191243 (E_RNA)
where:
Base-Base interactions energy: -247.770
where: short stacking energy: -100.487
Base-Backbone interact. energy: -0.307
local terms energy: -132.113841
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 2.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -413.633971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.633971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.055545 (E_RNA)
where:
Base-Base interactions energy: -300.139
where: short stacking energy: -105.921
Base-Backbone interact. energy: -0.359
local terms energy: -113.557017
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -538.787657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.787657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.143341 (E_RNA)
where:
Base-Base interactions energy: -366.192
where: short stacking energy: -148.889
Base-Backbone interact. energy: 0.024
local terms energy: -172.975855
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -43.078
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: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -481.198257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.198257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.542790 (E_RNA)
where:
Base-Base interactions energy: -324.652
where: short stacking energy: -134.082
Base-Backbone interact. energy: -0.471
local terms energy: -158.420053
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 2.345 (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: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -528.847759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.847759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.338921 (E_RNA)
where:
Base-Base interactions energy: -368.468
where: short stacking energy: -143.868
Base-Backbone interact. energy: -0.834
local terms energy: -160.036180
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -38.464
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: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -442.238788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.238788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.404662 (E_RNA)
where:
Base-Base interactions energy: -308.263
where: short stacking energy: -114.969
Base-Backbone interact. energy: -1.004
local terms energy: -138.137814
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -33.761
Dist. restrs. and SS energy: 5.166 (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: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -490.639668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.639668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.819872 (E_RNA)
where:
Base-Base interactions energy: -329.539
where: short stacking energy: -130.950
Base-Backbone interact. energy: 0.978
local terms energy: -162.258625
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -40.875
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: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -471.555982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.555982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.848519 (E_RNA)
where:
Base-Base interactions energy: -324.375
where: short stacking energy: -120.795
Base-Backbone interact. energy: -0.696
local terms energy: -146.777202
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -31.024
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -464.379332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.379332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.622415 (E_RNA)
where:
Base-Base interactions energy: -331.162
where: short stacking energy: -130.787
Base-Backbone interact. energy: -0.729
local terms energy: -132.732237
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -32.524
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -440.697219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.697219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.121025 (E_RNA)
where:
Base-Base interactions energy: -314.800
where: short stacking energy: -125.766
Base-Backbone interact. energy: -1.048
local terms energy: -125.272676
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -23.294
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -451.919992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.919992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.785187 (E_RNA)
where:
Base-Base interactions energy: -321.156
where: short stacking energy: -112.740
Base-Backbone interact. energy: 1.860
local terms energy: -133.489136
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -30.290
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: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -351.863188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.863188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.828390 (E_RNA)
where:
Base-Base interactions energy: -244.480
where: short stacking energy: -93.983
Base-Backbone interact. energy: -1.420
local terms energy: -108.928286
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 2.965 (S_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: -541.792468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.792468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.141603 (E_RNA)
where:
Base-Base interactions energy: -369.294
where: short stacking energy: -151.014
Base-Backbone interact. energy: 1.338
local terms energy: -174.185373
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -41.928
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -541.152316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.152316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.371600 (E_RNA)
where:
Base-Base interactions energy: -391.832
where: short stacking energy: -159.659
Base-Backbone interact. energy: -0.166
local terms energy: -149.374132
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -37.975
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: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -498.756169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.756169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.784539 (E_RNA)
where:
Base-Base interactions energy: -343.978
where: short stacking energy: -127.487
Base-Backbone interact. energy: -0.354
local terms energy: -162.452428
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -37.243
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -38.908
Dist. restrs. and SS energy: 8.028 (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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -490.430551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.430551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.839384 (E_RNA)
where:
Base-Base interactions energy: -331.388
where: short stacking energy: -136.529
Base-Backbone interact. energy: -0.873
local terms energy: -158.578184
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -32.734
flat angles C4'-P-C4' energy: -35.569
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -40.793
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -434.821159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.821159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.164348 (E_RNA)
where:
Base-Base interactions energy: -300.152
where: short stacking energy: -116.833
Base-Backbone interact. energy: -0.590
local terms energy: -139.422492
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 5.343 (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: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -467.983223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.983223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.717670 (E_RNA)
where:
Base-Base interactions energy: -322.153
where: short stacking energy: -127.469
Base-Backbone interact. energy: 1.764
local terms energy: -148.328529
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -33.766
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: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -477.560538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.560538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.039747 (E_RNA)
where:
Base-Base interactions energy: -341.917
where: short stacking energy: -139.155
Base-Backbone interact. energy: 0.044
local terms energy: -136.166014
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -39.387
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -474.951495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.951495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.410392 (E_RNA)
where:
Base-Base interactions energy: -323.280
where: short stacking energy: -122.849
Base-Backbone interact. energy: -0.828
local terms energy: -151.302513
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -28.977
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: 7
Temperature: 1.300000
Total energy: -430.692893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.692893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.968694 (E_RNA)
where:
Base-Base interactions energy: -294.857
where: short stacking energy: -119.440
Base-Backbone interact. energy: -0.333
local terms energy: -135.778352
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -25.135
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: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -371.227385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.227385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.333102 (E_RNA)
where:
Base-Base interactions energy: -260.872
where: short stacking energy: -90.228
Base-Backbone interact. energy: -0.754
local terms energy: -113.707009
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -549.621705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.621705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.660523 (E_RNA)
where:
Base-Base interactions energy: -382.810
where: short stacking energy: -142.032
Base-Backbone interact. energy: -0.440
local terms energy: -166.410903
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -35.966
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -519.625671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.625671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.368424 (E_RNA)
where:
Base-Base interactions energy: -352.339
where: short stacking energy: -143.056
Base-Backbone interact. energy: -0.448
local terms energy: -167.581292
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -36.061
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -509.797338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.797338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.556214 (E_RNA)
where:
Base-Base interactions energy: -355.989
where: short stacking energy: -147.675
Base-Backbone interact. energy: -1.532
local terms energy: -153.035694
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -39.720
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -479.948488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.948488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.863388 (E_RNA)
where:
Base-Base interactions energy: -334.963
where: short stacking energy: -140.575
Base-Backbone interact. energy: -0.313
local terms energy: -151.587439
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -33.936
Dist. restrs. and SS energy: 6.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -482.545756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.545756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.823889 (E_RNA)
where:
Base-Base interactions energy: -338.875
where: short stacking energy: -137.609
Base-Backbone interact. energy: -1.086
local terms energy: -142.862261
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -38.860
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: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -444.553093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.553093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.856490 (E_RNA)
where:
Base-Base interactions energy: -315.144
where: short stacking energy: -118.634
Base-Backbone interact. energy: 1.166
local terms energy: -133.877895
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -463.135042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.135042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.004654 (E_RNA)
where:
Base-Base interactions energy: -321.877
where: short stacking energy: -125.108
Base-Backbone interact. energy: -1.608
local terms energy: -140.519875
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -37.995
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -449.304628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.304628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.257931 (E_RNA)
where:
Base-Base interactions energy: -313.083
where: short stacking energy: -122.830
Base-Backbone interact. energy: -0.950
local terms energy: -136.224325
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -30.911
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -423.645982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.645982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.589749 (E_RNA)
where:
Base-Base interactions energy: -309.839
where: short stacking energy: -123.565
Base-Backbone interact. energy: 5.089
local terms energy: -119.840341
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -343.407524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.407524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.726955 (E_RNA)
where:
Base-Base interactions energy: -245.090
where: short stacking energy: -91.409
Base-Backbone interact. energy: -1.006
local terms energy: -98.630977
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -545.876829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.876829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.247585 (E_RNA)
where:
Base-Base interactions energy: -381.373
where: short stacking energy: -146.412
Base-Backbone interact. energy: 1.076
local terms energy: -165.950871
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -38.381
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -520.659176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.659176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.834921 (E_RNA)
where:
Base-Base interactions energy: -363.163
where: short stacking energy: -139.593
Base-Backbone interact. energy: -0.573
local terms energy: -157.099230
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -39.262
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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -529.502687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.502687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.480273 (E_RNA)
where:
Base-Base interactions energy: -360.896
where: short stacking energy: -135.037
Base-Backbone interact. energy: -2.146
local terms energy: -167.438359
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -516.254588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.254588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.587351 (E_RNA)
where:
Base-Base interactions energy: -361.019
where: short stacking energy: -147.197
Base-Backbone interact. energy: -0.270
local terms energy: -155.297707
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -43.757
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -482.435686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.435686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.700750 (E_RNA)
where:
Base-Base interactions energy: -331.931
where: short stacking energy: -130.685
Base-Backbone interact. energy: 0.531
local terms energy: -157.300650
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -34.940
Dist. restrs. and SS energy: 6.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -467.537037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.537037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.911471 (E_RNA)
where:
Base-Base interactions energy: -312.149
where: short stacking energy: -126.263
Base-Backbone interact. energy: -2.584
local terms energy: -153.178308
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -37.514
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: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -435.646214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.646214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.005725 (E_RNA)
where:
Base-Base interactions energy: -306.854
where: short stacking energy: -129.074
Base-Backbone interact. energy: -0.971
local terms energy: -131.179758
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -29.205
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -438.834903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.834903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.928044 (E_RNA)
where:
Base-Base interactions energy: -306.117
where: short stacking energy: -106.595
Base-Backbone interact. energy: -1.071
local terms energy: -132.740470
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 1.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -432.160923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.160923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.549317 (E_RNA)
where:
Base-Base interactions energy: -307.468
where: short stacking energy: -117.185
Base-Backbone interact. energy: -0.712
local terms energy: -125.369943
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -363.359318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.359318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.789195 (E_RNA)
where:
Base-Base interactions energy: -247.025
where: short stacking energy: -88.271
Base-Backbone interact. energy: 0.863
local terms energy: -120.626491
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -34.974
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 3.430 (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: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -543.827831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.827831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.068922 (E_RNA)
where:
Base-Base interactions energy: -370.685
where: short stacking energy: -156.443
Base-Backbone interact. energy: 0.519
local terms energy: -173.903123
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -41.266
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -530.944951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.944951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.635934 (E_RNA)
where:
Base-Base interactions energy: -357.913
where: short stacking energy: -144.059
Base-Backbone interact. energy: -1.139
local terms energy: -172.583467
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -41.811
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: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -524.207180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.207180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.270885 (E_RNA)
where:
Base-Base interactions energy: -351.272
where: short stacking energy: -146.660
Base-Backbone interact. energy: -0.801
local terms energy: -172.198635
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -43.952
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: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -517.219663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.219663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.954354 (E_RNA)
where:
Base-Base interactions energy: -352.533
where: short stacking energy: -139.370
Base-Backbone interact. energy: -1.061
local terms energy: -164.360137
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -42.768
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: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -480.405628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.405628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.870227 (E_RNA)
where:
Base-Base interactions energy: -329.042
where: short stacking energy: -126.913
Base-Backbone interact. energy: 0.195
local terms energy: -152.022672
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -34.575
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: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -459.867525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.867525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.216891 (E_RNA)
where:
Base-Base interactions energy: -309.580
where: short stacking energy: -119.250
Base-Backbone interact. energy: -1.891
local terms energy: -153.745858
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -36.090
Dist. restrs. and SS energy: 5.349 (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: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -471.399179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.399179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.568111 (E_RNA)
where:
Base-Base interactions energy: -323.485
where: short stacking energy: -126.630
Base-Backbone interact. energy: -0.407
local terms energy: -147.675859
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -31.945
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: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -425.543242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.543242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.051742 (E_RNA)
where:
Base-Base interactions energy: -298.405
where: short stacking energy: -128.225
Base-Backbone interact. energy: 4.939
local terms energy: -141.586319
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 9.508 (S_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: 10
Temperature: 1.300000
Total energy: -427.306514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.306514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.428686 (E_RNA)
where:
Base-Base interactions energy: -296.829
where: short stacking energy: -112.624
Base-Backbone interact. energy: -0.554
local terms energy: -130.045578
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -29.927
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: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -348.424114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.424114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.295025 (E_RNA)
where:
Base-Base interactions energy: -232.519
where: short stacking energy: -81.370
Base-Backbone interact. energy: 1.262
local terms energy: -119.037564
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -550.340688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.340688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.606925 (E_RNA)
where:
Base-Base interactions energy: -387.995
where: short stacking energy: -153.721
Base-Backbone interact. energy: -0.233
local terms energy: -162.378639
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -36.473
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -36.690
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: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -524.868463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.868463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.140361 (E_RNA)
where:
Base-Base interactions energy: -359.557
where: short stacking energy: -148.573
Base-Backbone interact. energy: -1.584
local terms energy: -163.999490
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -41.076
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -521.833973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.833973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.197442 (E_RNA)
where:
Base-Base interactions energy: -355.893
where: short stacking energy: -144.200
Base-Backbone interact. energy: -0.641
local terms energy: -165.663715
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -506.639779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.639779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.328192 (E_RNA)
where:
Base-Base interactions energy: -344.454
where: short stacking energy: -151.033
Base-Backbone interact. energy: -0.491
local terms energy: -163.383181
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -49.477
Dist. restrs. and SS energy: 1.688 (S_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: 11
Temperature: 1.100000
Total energy: -484.205962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.205962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.072489 (E_RNA)
where:
Base-Base interactions energy: -328.553
where: short stacking energy: -135.955
Base-Backbone interact. energy: 0.646
local terms energy: -157.165938
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -35.059
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -36.847
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -470.936434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.936434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.123327 (E_RNA)
where:
Base-Base interactions energy: -316.872
where: short stacking energy: -136.365
Base-Backbone interact. energy: -0.273
local terms energy: -153.978446
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -35.948
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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -440.241919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.241919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.472502 (E_RNA)
where:
Base-Base interactions energy: -295.242
where: short stacking energy: -129.866
Base-Backbone interact. energy: -0.574
local terms energy: -152.656542
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -32.364
Dist. restrs. and SS energy: 8.231 (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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -465.111966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.111966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.444440 (E_RNA)
where:
Base-Base interactions energy: -317.947
where: short stacking energy: -124.505
Base-Backbone interact. energy: -1.177
local terms energy: -146.320437
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -35.855
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: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -433.719002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.719002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.309958 (E_RNA)
where:
Base-Base interactions energy: -292.527
where: short stacking energy: -103.346
Base-Backbone interact. energy: -1.431
local terms energy: -140.352236
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -24.191
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: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -360.645973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.645973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.903403 (E_RNA)
where:
Base-Base interactions energy: -255.447
where: short stacking energy: -102.999
Base-Backbone interact. energy: -2.405
local terms energy: -110.051140
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 7.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -545.774716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.774716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.267025 (E_RNA)
where:
Base-Base interactions energy: -380.309
where: short stacking energy: -143.919
Base-Backbone interact. energy: -0.755
local terms energy: -165.203130
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -38.380
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: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -533.791857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.791857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.281606 (E_RNA)
where:
Base-Base interactions energy: -377.251
where: short stacking energy: -149.289
Base-Backbone interact. energy: -0.826
local terms energy: -156.203784
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -35.241
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: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -515.623162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.623162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.887687 (E_RNA)
where:
Base-Base interactions energy: -352.110
where: short stacking energy: -141.173
Base-Backbone interact. energy: -1.484
local terms energy: -162.294339
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -36.212
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -38.784
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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -505.402754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.402754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.620451 (E_RNA)
where:
Base-Base interactions energy: -347.915
where: short stacking energy: -154.622
Base-Backbone interact. energy: -0.391
local terms energy: -157.313995
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -42.808
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: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -497.010104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.010104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.269981 (E_RNA)
where:
Base-Base interactions energy: -336.062
where: short stacking energy: -149.959
Base-Backbone interact. energy: -0.492
local terms energy: -160.715536
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -45.612
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: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -475.996852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.996852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.928524 (E_RNA)
where:
Base-Base interactions energy: -318.027
where: short stacking energy: -131.480
Base-Backbone interact. energy: -0.442
local terms energy: -158.459120
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -32.435
Dist. restrs. and SS energy: 0.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -460.692983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.692983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.083520 (E_RNA)
where:
Base-Base interactions energy: -322.586
where: short stacking energy: -126.277
Base-Backbone interact. energy: -0.250
local terms energy: -138.247261
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -33.648
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: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -409.547363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.547363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.363269 (E_RNA)
where:
Base-Base interactions energy: -286.844
where: short stacking energy: -112.384
Base-Backbone interact. energy: -1.366
local terms energy: -133.152983
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 11.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -430.267011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.267011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.881029 (E_RNA)
where:
Base-Base interactions energy: -292.607
where: short stacking energy: -117.098
Base-Backbone interact. energy: -0.968
local terms energy: -137.305641
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -30.771
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: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -380.928243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.928243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.636933 (E_RNA)
where:
Base-Base interactions energy: -271.251
where: short stacking energy: -104.443
Base-Backbone interact. energy: -0.512
local terms energy: -116.874110
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 7.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -536.384432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.384432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.561909 (E_RNA)
where:
Base-Base interactions energy: -365.829
where: short stacking energy: -151.644
Base-Backbone interact. energy: -0.844
local terms energy: -169.888666
where:
bonds (distance) C4'-P energy: -35.940
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -39.986
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -530.437071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.437071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.174590 (E_RNA)
where:
Base-Base interactions energy: -368.504
where: short stacking energy: -146.965
Base-Backbone interact. energy: -1.264
local terms energy: -161.406868
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -519.197394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.197394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.769476 (E_RNA)
where:
Base-Base interactions energy: -361.296
where: short stacking energy: -155.550
Base-Backbone interact. energy: -0.202
local terms energy: -158.271872
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -36.190
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -505.802791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.802791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.288634 (E_RNA)
where:
Base-Base interactions energy: -345.523
where: short stacking energy: -138.676
Base-Backbone interact. energy: 0.156
local terms energy: -160.921742
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -40.616
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: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -498.995950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.995950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.494467 (E_RNA)
where:
Base-Base interactions energy: -351.081
where: short stacking energy: -140.303
Base-Backbone interact. energy: -1.328
local terms energy: -147.085433
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -39.213
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: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -473.958105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.958105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.130728 (E_RNA)
where:
Base-Base interactions energy: -331.570
where: short stacking energy: -125.720
Base-Backbone interact. energy: -1.223
local terms energy: -142.337931
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -35.119
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -463.847979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.847979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.216856 (E_RNA)
where:
Base-Base interactions energy: -311.869
where: short stacking energy: -125.790
Base-Backbone interact. energy: -0.496
local terms energy: -151.851878
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -38.408
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: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -430.864607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.864607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.658677 (E_RNA)
where:
Base-Base interactions energy: -315.642
where: short stacking energy: -121.562
Base-Backbone interact. energy: -2.115
local terms energy: -124.901026
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 11.794 (S_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: -420.288052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.288052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.631692 (E_RNA)
where:
Base-Base interactions energy: -281.375
where: short stacking energy: -105.490
Base-Backbone interact. energy: -0.435
local terms energy: -138.822427
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -19.880
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: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -420.915937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.560127 (E_RNA)
where:
Base-Base interactions energy: -300.011
where: short stacking energy: -116.472
Base-Backbone interact. energy: 3.692
local terms energy: -125.241810
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -552.798480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.798480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.346991 (E_RNA)
where:
Base-Base interactions energy: -381.403
where: short stacking energy: -145.922
Base-Backbone interact. energy: -1.577
local terms energy: -170.366317
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -522.361221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.361221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.979103 (E_RNA)
where:
Base-Base interactions energy: -352.667
where: short stacking energy: -154.266
Base-Backbone interact. energy: 0.243
local terms energy: -170.555525
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -43.269
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: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -522.923601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.923601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.254981 (E_RNA)
where:
Base-Base interactions energy: -361.099
where: short stacking energy: -153.645
Base-Backbone interact. energy: 2.886
local terms energy: -165.042185
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -34.378
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -39.685
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: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -501.165672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.165672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.401016 (E_RNA)
where:
Base-Base interactions energy: -349.662
where: short stacking energy: -144.622
Base-Backbone interact. energy: 1.039
local terms energy: -152.777287
where:
bonds (distance) C4'-P energy: -31.852
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -35.855
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: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -511.783044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.783044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.873754 (E_RNA)
where:
Base-Base interactions energy: -350.070
where: short stacking energy: -140.600
Base-Backbone interact. energy: -0.544
local terms energy: -161.259682
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -41.262
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: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -474.671210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.671210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.595641 (E_RNA)
where:
Base-Base interactions energy: -330.146
where: short stacking energy: -118.322
Base-Backbone interact. energy: 0.600
local terms energy: -146.049073
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -35.930
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -428.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.720449 (E_RNA)
where:
Base-Base interactions energy: -297.476
where: short stacking energy: -121.711
Base-Backbone interact. energy: 3.923
local terms energy: -148.167444
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 12.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -468.890429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.890429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.282354 (E_RNA)
where:
Base-Base interactions energy: -328.195
where: short stacking energy: -121.299
Base-Backbone interact. energy: -0.784
local terms energy: -140.303541
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -35.979
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: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -458.496856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.496856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.113240 (E_RNA)
where:
Base-Base interactions energy: -323.284
where: short stacking energy: -114.965
Base-Backbone interact. energy: -0.764
local terms energy: -135.064872
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -26.248
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: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -441.590555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.590555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.066564 (E_RNA)
where:
Base-Base interactions energy: -310.103
where: short stacking energy: -120.249
Base-Backbone interact. energy: -0.364
local terms energy: -131.599834
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -33.251
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: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -558.210630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.210630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.216218 (E_RNA)
where:
Base-Base interactions energy: -389.621
where: short stacking energy: -154.791
Base-Backbone interact. energy: -0.765
local terms energy: -167.830080
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -37.293
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -526.886352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.886352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.334195 (E_RNA)
where:
Base-Base interactions energy: -367.838
where: short stacking energy: -154.192
Base-Backbone interact. energy: -1.236
local terms energy: -158.260210
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -39.969
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -524.589035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.589035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.153522 (E_RNA)
where:
Base-Base interactions energy: -359.662
where: short stacking energy: -145.272
Base-Backbone interact. energy: -1.799
local terms energy: -163.692325
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -43.939
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -488.980762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.980762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.165055 (E_RNA)
where:
Base-Base interactions energy: -337.891
where: short stacking energy: -134.073
Base-Backbone interact. energy: 0.043
local terms energy: -151.317148
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -36.558
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -508.439176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.439176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.810854 (E_RNA)
where:
Base-Base interactions energy: -343.129
where: short stacking energy: -152.868
Base-Backbone interact. energy: 0.417
local terms energy: -166.099484
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -42.339
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: 15
Temperature: 1.150000
Total energy: -468.158654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.158654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.686659 (E_RNA)
where:
Base-Base interactions energy: -312.119
where: short stacking energy: -124.419
Base-Backbone interact. energy: -0.472
local terms energy: -156.096097
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -32.749
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: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -447.715135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.715135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.255427 (E_RNA)
where:
Base-Base interactions energy: -303.238
where: short stacking energy: -128.004
Base-Backbone interact. energy: -0.351
local terms energy: -151.666904
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 7.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -477.700920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.700920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.488571 (E_RNA)
where:
Base-Base interactions energy: -324.932
where: short stacking energy: -125.894
Base-Backbone interact. energy: -1.765
local terms energy: -151.791841
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -28.930
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: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -458.344464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.344464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.575098 (E_RNA)
where:
Base-Base interactions energy: -325.250
where: short stacking energy: -133.167
Base-Backbone interact. energy: 0.270
local terms energy: -133.594935
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -36.675
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: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -445.695165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.695165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.170938 (E_RNA)
where:
Base-Base interactions energy: -316.014
where: short stacking energy: -119.651
Base-Backbone interact. energy: -0.339
local terms energy: -129.817406
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -31.857
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: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -562.264618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.264618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.617849 (E_RNA)
where:
Base-Base interactions energy: -393.424
where: short stacking energy: -158.742
Base-Backbone interact. energy: -1.115
local terms energy: -168.078288
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -36.360
flat angles C4'-P-C4' energy: -38.251
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -36.530
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -528.993126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.993126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.545430 (E_RNA)
where:
Base-Base interactions energy: -365.557
where: short stacking energy: -145.398
Base-Backbone interact. energy: -0.572
local terms energy: -163.416293
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -41.159
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: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -516.578726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.578726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.142475 (E_RNA)
where:
Base-Base interactions energy: -371.179
where: short stacking energy: -131.278
Base-Backbone interact. energy: -1.055
local terms energy: -144.908424
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -32.845
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -493.210661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.210661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.368894 (E_RNA)
where:
Base-Base interactions energy: -329.991
where: short stacking energy: -126.177
Base-Backbone interact. energy: -0.061
local terms energy: -163.317138
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -36.294
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: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -490.721634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.721634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.500427 (E_RNA)
where:
Base-Base interactions energy: -341.888
where: short stacking energy: -131.394
Base-Backbone interact. energy: 1.268
local terms energy: -150.881081
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -38.189
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -494.409071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.409071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.538539 (E_RNA)
where:
Base-Base interactions energy: -348.621
where: short stacking energy: -140.233
Base-Backbone interact. energy: 3.570
local terms energy: -149.487062
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -37.507
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -480.298184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.298184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.742749 (E_RNA)
where:
Base-Base interactions energy: -317.806
where: short stacking energy: -126.501
Base-Backbone interact. energy: -0.978
local terms energy: -161.958897
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -37.750
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -464.022200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.022200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.086744 (E_RNA)
where:
Base-Base interactions energy: -326.741
where: short stacking energy: -124.576
Base-Backbone interact. energy: -1.453
local terms energy: -139.893027
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -40.856
Dist. restrs. and SS energy: 4.065 (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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -454.082380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.082380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.867476 (E_RNA)
where:
Base-Base interactions energy: -314.267
where: short stacking energy: -128.799
Base-Backbone interact. energy: 0.764
local terms energy: -141.364169
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -37.971
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: 10, replica: 3
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -419.663742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.663742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.970772 (E_RNA)
where:
Base-Base interactions energy: -292.386
where: short stacking energy: -112.871
Base-Backbone interact. energy: -1.393
local terms energy: -126.191435
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -30.861
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: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -549.767489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.767489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.096748 (E_RNA)
where:
Base-Base interactions energy: -379.881
where: short stacking energy: -144.605
Base-Backbone interact. energy: -1.700
local terms energy: -168.516613
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -40.780
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: 17
Temperature: 0.950000
Total energy: -534.832063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.832063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.065448 (E_RNA)
where:
Base-Base interactions energy: -376.097
where: short stacking energy: -151.330
Base-Backbone interact. energy: -0.763
local terms energy: -158.205556
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -36.910
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -43.712
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -516.026202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.026202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.524487 (E_RNA)
where:
Base-Base interactions energy: -364.020
where: short stacking energy: -142.968
Base-Backbone interact. energy: 1.593
local terms energy: -154.097126
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -41.126
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -489.313597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.313597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.509883 (E_RNA)
where:
Base-Base interactions energy: -340.503
where: short stacking energy: -136.186
Base-Backbone interact. energy: -0.665
local terms energy: -148.341489
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -36.479
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -478.587784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.587784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.076587 (E_RNA)
where:
Base-Base interactions energy: -338.438
where: short stacking energy: -135.937
Base-Backbone interact. energy: -0.135
local terms energy: -142.503487
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -32.022
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: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -486.888197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.888197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.500615 (E_RNA)
where:
Base-Base interactions energy: -342.319
where: short stacking energy: -146.315
Base-Backbone interact. energy: -0.827
local terms energy: -144.354397
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -38.827
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -462.815524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.815524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.092251 (E_RNA)
where:
Base-Base interactions energy: -316.681
where: short stacking energy: -116.362
Base-Backbone interact. energy: -2.189
local terms energy: -144.222600
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -33.921
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -470.876702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.876702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.613879 (E_RNA)
where:
Base-Base interactions energy: -325.450
where: short stacking energy: -139.045
Base-Backbone interact. energy: -0.425
local terms energy: -151.738247
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -33.873
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 6.737 (S_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: 17
Temperature: 1.300000
Total energy: -451.595857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.595857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.871480 (E_RNA)
where:
Base-Base interactions energy: -316.016
where: short stacking energy: -129.834
Base-Backbone interact. energy: -0.350
local terms energy: -135.505214
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -30.725
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: 3
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -415.952498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.952498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.459768 (E_RNA)
where:
Base-Base interactions energy: -290.791
where: short stacking energy: -111.952
Base-Backbone interact. energy: -0.133
local terms energy: -125.535519
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -31.428
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -29.675
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: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -553.259252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.259252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.561190 (E_RNA)
where:
Base-Base interactions energy: -378.365
where: short stacking energy: -154.788
Base-Backbone interact. energy: -0.723
local terms energy: -174.473253
where:
bonds (distance) C4'-P energy: -37.412
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -38.003
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -541.899207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.899207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.471009 (E_RNA)
where:
Base-Base interactions energy: -376.678
where: short stacking energy: -150.224
Base-Backbone interact. energy: -1.072
local terms energy: -164.721173
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -37.427
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: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -506.668086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.668086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.963221 (E_RNA)
where:
Base-Base interactions energy: -340.415
where: short stacking energy: -128.716
Base-Backbone interact. energy: -0.667
local terms energy: -165.881161
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -38.934
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -37.805
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -502.127508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.127508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.757449 (E_RNA)
where:
Base-Base interactions energy: -344.408
where: short stacking energy: -128.888
Base-Backbone interact. energy: -0.932
local terms energy: -157.417236
where:
bonds (distance) C4'-P energy: -37.317
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -31.222
Dist. restrs. and SS energy: 0.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -494.158286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.158286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.380148 (E_RNA)
where:
Base-Base interactions energy: -341.209
where: short stacking energy: -141.645
Base-Backbone interact. energy: -1.513
local terms energy: -151.657445
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -40.585
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -468.042711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.042711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.392502 (E_RNA)
where:
Base-Base interactions energy: -315.488
where: short stacking energy: -116.805
Base-Backbone interact. energy: -0.839
local terms energy: -152.065202
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -32.717
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -35.047
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: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -468.851308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.851308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.518151 (E_RNA)
where:
Base-Base interactions energy: -337.607
where: short stacking energy: -136.927
Base-Backbone interact. energy: -1.238
local terms energy: -135.673078
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 5.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -463.153304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.153304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.122571 (E_RNA)
where:
Base-Base interactions energy: -328.209
where: short stacking energy: -123.712
Base-Backbone interact. energy: -1.550
local terms energy: -134.363326
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -34.930
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: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -440.335486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.335486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.582867 (E_RNA)
where:
Base-Base interactions energy: -303.053
where: short stacking energy: -120.637
Base-Backbone interact. energy: -0.900
local terms energy: -136.630048
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -442.420773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.420773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.744086 (E_RNA)
where:
Base-Base interactions energy: -318.425
where: short stacking energy: -129.137
Base-Backbone interact. energy: -0.453
local terms energy: -123.866096
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -33.821
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: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -551.189617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.189617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.666194 (E_RNA)
where:
Base-Base interactions energy: -387.212
where: short stacking energy: -154.742
Base-Backbone interact. energy: -2.036
local terms energy: -162.418316
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -39.285
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: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -531.544023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.544023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.891280 (E_RNA)
where:
Base-Base interactions energy: -358.846
where: short stacking energy: -153.493
Base-Backbone interact. energy: -1.039
local terms energy: -172.005979
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -35.897
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -41.870
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -504.117588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.117588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.611450 (E_RNA)
where:
Base-Base interactions energy: -338.275
where: short stacking energy: -139.914
Base-Backbone interact. energy: -3.562
local terms energy: -162.774879
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -40.575
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: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -513.263878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.263878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.602491 (E_RNA)
where:
Base-Base interactions energy: -350.058
where: short stacking energy: -142.532
Base-Backbone interact. energy: -0.088
local terms energy: -163.456735
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -41.072
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: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -496.173107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.173107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.365417 (E_RNA)
where:
Base-Base interactions energy: -339.816
where: short stacking energy: -136.814
Base-Backbone interact. energy: -0.840
local terms energy: -155.709694
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -40.366
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: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -457.170602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.170602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.670112 (E_RNA)
where:
Base-Base interactions energy: -320.922
where: short stacking energy: -116.346
Base-Backbone interact. energy: -1.032
local terms energy: -136.716784
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -31.988
Dist. restrs. and SS energy: 1.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -460.815758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.815758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.414336 (E_RNA)
where:
Base-Base interactions energy: -325.462
where: short stacking energy: -126.985
Base-Backbone interact. energy: 1.139
local terms energy: -144.091221
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -35.826
Dist. restrs. and SS energy: 7.599 (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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -450.761886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.761886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.525911 (E_RNA)
where:
Base-Base interactions energy: -303.634
where: short stacking energy: -122.106
Base-Backbone interact. energy: -1.025
local terms energy: -146.867045
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -30.038
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -38.283
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -434.463688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.038142 (E_RNA)
where:
Base-Base interactions energy: -298.110
where: short stacking energy: -126.148
Base-Backbone interact. energy: 2.211
local terms energy: -139.139416
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -34.705
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -420.724508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.724508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.680888 (E_RNA)
where:
Base-Base interactions energy: -297.095
where: short stacking energy: -125.868
Base-Backbone interact. energy: -0.472
local terms energy: -125.113797
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -31.432
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -542.822419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.822419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.174649 (E_RNA)
where:
Base-Base interactions energy: -381.638
where: short stacking energy: -148.111
Base-Backbone interact. energy: -2.000
local terms energy: -159.536694
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -37.574
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -525.033515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.033515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.360749 (E_RNA)
where:
Base-Base interactions energy: -361.895
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.225
local terms energy: -163.240649
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -37.880
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: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -526.546321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.546321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.677877 (E_RNA)
where:
Base-Base interactions energy: -370.207
where: short stacking energy: -147.990
Base-Backbone interact. energy: -0.659
local terms energy: -155.811789
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -40.057
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: 20
Temperature: 1.050000
Total energy: -516.685376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.685376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.483688 (E_RNA)
where:
Base-Base interactions energy: -355.674
where: short stacking energy: -152.915
Base-Backbone interact. energy: 2.876
local terms energy: -164.685957
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -38.775
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -506.030217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.030217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.314335 (E_RNA)
where:
Base-Base interactions energy: -353.739
where: short stacking energy: -135.092
Base-Backbone interact. energy: 0.216
local terms energy: -152.790864
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -35.975
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -37.631
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: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -478.348364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.348364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.613269 (E_RNA)
where:
Base-Base interactions energy: -329.482
where: short stacking energy: -118.968
Base-Backbone interact. energy: 1.730
local terms energy: -151.861722
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -465.384401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.384401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.581738 (E_RNA)
where:
Base-Base interactions energy: -319.808
where: short stacking energy: -128.407
Base-Backbone interact. energy: 0.440
local terms energy: -146.213674
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -36.690
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: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -440.544010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.544010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.020505 (E_RNA)
where:
Base-Base interactions energy: -308.310
where: short stacking energy: -125.108
Base-Backbone interact. energy: -0.563
local terms energy: -139.147124
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -35.711
Dist. restrs. and SS energy: 7.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -444.014123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.014123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.372293 (E_RNA)
where:
Base-Base interactions energy: -319.664
where: short stacking energy: -110.855
Base-Backbone interact. energy: -1.319
local terms energy: -123.389439
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -31.802
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -433.372573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.372573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.901362 (E_RNA)
where:
Base-Base interactions energy: -305.195
where: short stacking energy: -118.502
Base-Backbone interact. energy: -1.534
local terms energy: -127.172294
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -26.109
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -542.518848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.058243 (E_RNA)
where:
Base-Base interactions energy: -379.967
where: short stacking energy: -144.375
Base-Backbone interact. energy: -0.554
local terms energy: -162.536443
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -36.487
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -537.949620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.949620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.261534 (E_RNA)
where:
Base-Base interactions energy: -378.825
where: short stacking energy: -143.994
Base-Backbone interact. energy: 1.332
local terms energy: -160.768516
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -35.074
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -36.811
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: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -528.111037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.111037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.352251 (E_RNA)
where:
Base-Base interactions energy: -369.192
where: short stacking energy: -152.967
Base-Backbone interact. energy: -0.790
local terms energy: -158.369932
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -523.251237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.251237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.519811 (E_RNA)
where:
Base-Base interactions energy: -353.684
where: short stacking energy: -148.356
Base-Backbone interact. energy: -0.148
local terms energy: -169.687126
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -28.122
tors. eta vs tors. theta energy: -40.902
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -514.012944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.012944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.326375 (E_RNA)
where:
Base-Base interactions energy: -357.134
where: short stacking energy: -138.057
Base-Backbone interact. energy: -0.756
local terms energy: -156.436422
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -481.839537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.839537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.705376 (E_RNA)
where:
Base-Base interactions energy: -326.716
where: short stacking energy: -139.637
Base-Backbone interact. energy: -0.521
local terms energy: -155.468669
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -39.038
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -458.913326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.913326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.410466 (E_RNA)
where:
Base-Base interactions energy: -316.543
where: short stacking energy: -121.268
Base-Backbone interact. energy: -1.280
local terms energy: -141.587383
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -40.588
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -462.124976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.124976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.396928 (E_RNA)
where:
Base-Base interactions energy: -328.646
where: short stacking energy: -119.324
Base-Backbone interact. energy: -1.044
local terms energy: -132.707339
where:
bonds (distance) C4'-P energy: -32.506
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -440.206277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.206277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.401383 (E_RNA)
where:
Base-Base interactions energy: -318.382
where: short stacking energy: -124.863
Base-Backbone interact. energy: 0.661
local terms energy: -130.680312
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 8.195 (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: 21
Temperature: 1.350000
Total energy: -421.291777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.291777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.828481 (E_RNA)
where:
Base-Base interactions energy: -299.965
where: short stacking energy: -122.353
Base-Backbone interact. energy: -0.401
local terms energy: -121.462632
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -32.530
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: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -543.737056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.737056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.350533 (E_RNA)
where:
Base-Base interactions energy: -382.965
where: short stacking energy: -148.894
Base-Backbone interact. energy: -1.401
local terms energy: -159.984245
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -36.971
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: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -538.937081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.937081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.142063 (E_RNA)
where:
Base-Base interactions energy: -382.249
where: short stacking energy: -150.546
Base-Backbone interact. energy: -0.703
local terms energy: -156.189449
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -34.218
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -37.695
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -527.773766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.773766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.219266 (E_RNA)
where:
Base-Base interactions energy: -361.973
where: short stacking energy: -150.710
Base-Backbone interact. energy: -0.486
local terms energy: -165.760598
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -44.424
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: 22
Temperature: 1.050000
Total energy: -511.767307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.767307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.879814 (E_RNA)
where:
Base-Base interactions energy: -368.258
where: short stacking energy: -149.293
Base-Backbone interact. energy: 2.044
local terms energy: -145.665175
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -39.264
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -43.869
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -507.884406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.884406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.926565 (E_RNA)
where:
Base-Base interactions energy: -366.028
where: short stacking energy: -132.145
Base-Backbone interact. energy: -1.713
local terms energy: -140.185706
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -41.527
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: 22
Temperature: 1.150000
Total energy: -490.051561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.051561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.266192 (E_RNA)
where:
Base-Base interactions energy: -344.390
where: short stacking energy: -130.899
Base-Backbone interact. energy: 0.124
local terms energy: -145.999858
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -38.689
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -474.764986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.764986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.289842 (E_RNA)
where:
Base-Base interactions energy: -337.034
where: short stacking energy: -130.280
Base-Backbone interact. energy: -1.103
local terms energy: -137.152535
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -34.190
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -468.965299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.965299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.354258 (E_RNA)
where:
Base-Base interactions energy: -338.746
where: short stacking energy: -123.956
Base-Backbone interact. energy: 1.459
local terms energy: -132.066965
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -30.111
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: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -435.595081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.595081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.949271 (E_RNA)
where:
Base-Base interactions energy: -293.257
where: short stacking energy: -104.023
Base-Backbone interact. energy: -0.305
local terms energy: -142.387853
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -27.908
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: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -420.557127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.557127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.893697 (E_RNA)
where:
Base-Base interactions energy: -291.612
where: short stacking energy: -118.138
Base-Backbone interact. energy: -1.625
local terms energy: -131.656778
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 4.337 (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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -528.032639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.032639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.491914 (E_RNA)
where:
Base-Base interactions energy: -365.423
where: short stacking energy: -145.415
Base-Backbone interact. energy: -0.817
local terms energy: -162.252118
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -36.801
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -546.542152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.542152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.748974 (E_RNA)
where:
Base-Base interactions energy: -372.416
where: short stacking energy: -146.193
Base-Backbone interact. energy: 0.674
local terms energy: -175.006864
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -37.227
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: 23
Temperature: 1.000000
Total energy: -529.310366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.310366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.658065 (E_RNA)
where:
Base-Base interactions energy: -365.446
where: short stacking energy: -156.457
Base-Backbone interact. energy: 4.853
local terms energy: -169.064765
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -43.969
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: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -514.842538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.842538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.386371 (E_RNA)
where:
Base-Base interactions energy: -372.577
where: short stacking energy: -146.617
Base-Backbone interact. energy: -1.813
local terms energy: -140.996748
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -39.088
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: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -497.799268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.799268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.119090 (E_RNA)
where:
Base-Base interactions energy: -337.283
where: short stacking energy: -139.009
Base-Backbone interact. energy: -0.821
local terms energy: -160.014574
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -42.239
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -489.784805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.784805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.839354 (E_RNA)
where:
Base-Base interactions energy: -334.295
where: short stacking energy: -127.702
Base-Backbone interact. energy: -0.362
local terms energy: -156.181542
where:
bonds (distance) C4'-P energy: -34.429
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 1.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -461.143999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.143999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.409946 (E_RNA)
where:
Base-Base interactions energy: -340.228
where: short stacking energy: -142.897
Base-Backbone interact. energy: -0.460
local terms energy: -120.722104
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -33.202
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: 23
Temperature: 1.250000
Total energy: -452.521263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.521263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.742290 (E_RNA)
where:
Base-Base interactions energy: -312.882
where: short stacking energy: -111.629
Base-Backbone interact. energy: 2.368
local terms energy: -142.228003
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -454.731880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.731880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.459614 (E_RNA)
where:
Base-Base interactions energy: -309.587
where: short stacking energy: -116.085
Base-Backbone interact. energy: -0.466
local terms energy: -145.405807
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -31.118
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -382.497828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.497828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.198234 (E_RNA)
where:
Base-Base interactions energy: -286.996
where: short stacking energy: -112.502
Base-Backbone interact. energy: 0.302
local terms energy: -108.504085
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -29.957
Dist. restrs. and SS energy: 12.700 (S_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: 24
Temperature: 0.900000
Total energy: -531.559523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.559523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.598586 (E_RNA)
where:
Base-Base interactions energy: -371.960
where: short stacking energy: -152.014
Base-Backbone interact. energy: -1.089
local terms energy: -158.549804
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -33.346
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -37.987
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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -536.476068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.476068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.734084 (E_RNA)
where:
Base-Base interactions energy: -381.119
where: short stacking energy: -149.839
Base-Backbone interact. energy: 0.823
local terms energy: -156.438143
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -34.674
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -522.250110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.250110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.983447 (E_RNA)
where:
Base-Base interactions energy: -364.560
where: short stacking energy: -150.646
Base-Backbone interact. energy: 5.173
local terms energy: -163.596640
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -41.599
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -519.964215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.964215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.375091 (E_RNA)
where:
Base-Base interactions energy: -360.920
where: short stacking energy: -146.735
Base-Backbone interact. energy: 3.169
local terms energy: -162.624065
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -34.610
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -44.817
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: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -486.501788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.501788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.977582 (E_RNA)
where:
Base-Base interactions energy: -335.639
where: short stacking energy: -134.740
Base-Backbone interact. energy: -0.397
local terms energy: -150.942384
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -41.276
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: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -490.087623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.087623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.561594 (E_RNA)
where:
Base-Base interactions energy: -333.326
where: short stacking energy: -139.321
Base-Backbone interact. energy: -0.488
local terms energy: -156.747744
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -42.398
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -460.324874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.324874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.591786 (E_RNA)
where:
Base-Base interactions energy: -315.418
where: short stacking energy: -121.301
Base-Backbone interact. energy: -0.044
local terms energy: -145.129897
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -30.189
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -473.349072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.349072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.697612 (E_RNA)
where:
Base-Base interactions energy: -334.027
where: short stacking energy: -119.048
Base-Backbone interact. energy: -1.541
local terms energy: -138.129541
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -31.854
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: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -447.747657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.747657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.479138 (E_RNA)
where:
Base-Base interactions energy: -321.249
where: short stacking energy: -114.038
Base-Backbone interact. energy: -0.371
local terms energy: -126.859523
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -34.104
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -382.989663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.989663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.158488 (E_RNA)
where:
Base-Base interactions energy: -266.432
where: short stacking energy: -102.456
Base-Backbone interact. energy: -0.523
local terms energy: -127.202785
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -34.938
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 11.169 (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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -537.279485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.279485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.371050 (E_RNA)
where:
Base-Base interactions energy: -369.911
where: short stacking energy: -146.778
Base-Backbone interact. energy: 0.650
local terms energy: -168.110609
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -37.899
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -38.445
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -546.145240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.145240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.284280 (E_RNA)
where:
Base-Base interactions energy: -380.471
where: short stacking energy: -152.447
Base-Backbone interact. energy: -0.489
local terms energy: -165.323832
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -38.365
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -516.153013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.153013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.427782 (E_RNA)
where:
Base-Base interactions energy: -344.599
where: short stacking energy: -150.158
Base-Backbone interact. energy: 0.323
local terms energy: -172.152100
where:
bonds (distance) C4'-P energy: -36.587
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -29.127
tors. eta vs tors. theta energy: -40.962
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -515.333874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.333874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.911646 (E_RNA)
where:
Base-Base interactions energy: -358.896
where: short stacking energy: -143.965
Base-Backbone interact. energy: -0.862
local terms energy: -156.153862
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -38.677
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: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -500.033546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.033546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.882270 (E_RNA)
where:
Base-Base interactions energy: -342.541
where: short stacking energy: -137.933
Base-Backbone interact. energy: -0.848
local terms energy: -157.492749
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -41.782
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: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -500.079021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.079021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.272975 (E_RNA)
where:
Base-Base interactions energy: -342.768
where: short stacking energy: -133.564
Base-Backbone interact. energy: -1.472
local terms energy: -156.032830
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -41.284
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -458.964948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.964948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.309859 (E_RNA)
where:
Base-Base interactions energy: -329.695
where: short stacking energy: -136.784
Base-Backbone interact. energy: -1.731
local terms energy: -127.883877
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -38.621
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: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -451.257846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.257846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.898168 (E_RNA)
where:
Base-Base interactions energy: -314.394
where: short stacking energy: -134.327
Base-Backbone interact. energy: -1.173
local terms energy: -136.331032
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -27.476
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: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -455.057405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.057405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.904862 (E_RNA)
where:
Base-Base interactions energy: -313.647
where: short stacking energy: -119.834
Base-Backbone interact. energy: -0.365
local terms energy: -141.892817
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -35.812
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: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -417.405982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.405982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.409125 (E_RNA)
where:
Base-Base interactions energy: -286.278
where: short stacking energy: -110.938
Base-Backbone interact. energy: -0.803
local terms energy: -138.327487
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -32.066
Dist. restrs. and SS energy: 8.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -552.550925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.550925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.887545 (E_RNA)
where:
Base-Base interactions energy: -386.671
where: short stacking energy: -164.500
Base-Backbone interact. energy: 0.083
local terms energy: -166.299516
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -38.761
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -537.488969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.488969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.694098 (E_RNA)
where:
Base-Base interactions energy: -370.205
where: short stacking energy: -144.593
Base-Backbone interact. energy: -0.131
local terms energy: -167.358444
where:
bonds (distance) C4'-P energy: -36.007
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -28.304
tors. eta vs tors. theta energy: -36.030
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -533.042758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.042758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.619730 (E_RNA)
where:
Base-Base interactions energy: -372.313
where: short stacking energy: -148.580
Base-Backbone interact. energy: -0.467
local terms energy: -160.840205
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -35.548
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -44.696
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -515.846980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.017639 (E_RNA)
where:
Base-Base interactions energy: -359.806
where: short stacking energy: -149.951
Base-Backbone interact. energy: -0.852
local terms energy: -155.359292
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -39.212
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: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -488.764926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.764926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.057297 (E_RNA)
where:
Base-Base interactions energy: -347.912
where: short stacking energy: -133.850
Base-Backbone interact. energy: -1.417
local terms energy: -139.727663
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -38.184
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: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -472.640244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.640244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.928380 (E_RNA)
where:
Base-Base interactions energy: -322.294
where: short stacking energy: -130.022
Base-Backbone interact. energy: -0.747
local terms energy: -149.887384
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -40.795
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: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -457.805828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.805828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.211313 (E_RNA)
where:
Base-Base interactions energy: -327.867
where: short stacking energy: -128.968
Base-Backbone interact. energy: -0.986
local terms energy: -129.357753
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -32.570
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: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -478.399095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.399095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.491828 (E_RNA)
where:
Base-Base interactions energy: -352.587
where: short stacking energy: -131.594
Base-Backbone interact. energy: 1.033
local terms energy: -126.937745
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -29.542
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: 26
Temperature: 1.300000
Total energy: -408.751234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.751234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.168542 (E_RNA)
where:
Base-Base interactions energy: -286.705
where: short stacking energy: -107.498
Base-Backbone interact. energy: -0.699
local terms energy: -129.764818
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 8.417 (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: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -446.347738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.347738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.874160 (E_RNA)
where:
Base-Base interactions energy: -306.821
where: short stacking energy: -123.312
Base-Backbone interact. energy: -0.724
local terms energy: -139.329620
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -34.127
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: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -552.246883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.246883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.655046 (E_RNA)
where:
Base-Base interactions energy: -380.420
where: short stacking energy: -149.089
Base-Backbone interact. energy: -1.405
local terms energy: -170.830173
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -27.861
tors. eta vs tors. theta energy: -34.233
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -514.783220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.783220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.122318 (E_RNA)
where:
Base-Base interactions energy: -357.925
where: short stacking energy: -136.516
Base-Backbone interact. energy: 0.106
local terms energy: -157.303343
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -519.598561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.768545 (E_RNA)
where:
Base-Base interactions energy: -355.895
where: short stacking energy: -129.531
Base-Backbone interact. energy: -0.896
local terms energy: -162.977127
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -38.252
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: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -507.426890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.426890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.033711 (E_RNA)
where:
Base-Base interactions energy: -362.477
where: short stacking energy: -143.729
Base-Backbone interact. energy: 3.559
local terms energy: -149.115076
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -37.516
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -492.509196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.509196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.971471 (E_RNA)
where:
Base-Base interactions energy: -345.575
where: short stacking energy: -138.116
Base-Backbone interact. energy: -1.544
local terms energy: -145.852802
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -37.273
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -481.696951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.696951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.076875 (E_RNA)
where:
Base-Base interactions energy: -335.257
where: short stacking energy: -136.250
Base-Backbone interact. energy: 1.304
local terms energy: -148.123434
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -38.096
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: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -466.506313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.506313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.685888 (E_RNA)
where:
Base-Base interactions energy: -332.748
where: short stacking energy: -132.577
Base-Backbone interact. energy: -0.698
local terms energy: -133.239688
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -35.586
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: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -473.968411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.395224 (E_RNA)
where:
Base-Base interactions energy: -326.138
where: short stacking energy: -126.851
Base-Backbone interact. energy: 0.442
local terms energy: -148.699143
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -28.115
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -386.182864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.182864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.421496 (E_RNA)
where:
Base-Base interactions energy: -269.065
where: short stacking energy: -107.345
Base-Backbone interact. energy: -1.449
local terms energy: -120.907749
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 5.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -452.955414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.955414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.634765 (E_RNA)
where:
Base-Base interactions energy: -315.060
where: short stacking energy: -125.983
Base-Backbone interact. energy: 0.997
local terms energy: -139.571462
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -31.646
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: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -543.015581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.015581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.182317 (E_RNA)
where:
Base-Base interactions energy: -367.337
where: short stacking energy: -143.853
Base-Backbone interact. energy: -0.446
local terms energy: -175.399566
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -43.191
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: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -523.844531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.844531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.262912 (E_RNA)
where:
Base-Base interactions energy: -374.878
where: short stacking energy: -149.677
Base-Backbone interact. energy: -0.405
local terms energy: -148.979801
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -38.966
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: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -535.521912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.521912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.640837 (E_RNA)
where:
Base-Base interactions energy: -372.934
where: short stacking energy: -140.109
Base-Backbone interact. energy: -0.885
local terms energy: -161.821795
where:
bonds (distance) C4'-P energy: -34.694
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -41.921
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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -513.015411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.015411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.612406 (E_RNA)
where:
Base-Base interactions energy: -359.069
where: short stacking energy: -148.001
Base-Backbone interact. energy: 0.383
local terms energy: -154.926119
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -28.451
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -42.165
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -503.194842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.194842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.842024 (E_RNA)
where:
Base-Base interactions energy: -366.410
where: short stacking energy: -155.158
Base-Backbone interact. energy: -0.237
local terms energy: -137.194543
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -41.819
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: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -482.168198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.168198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.279914 (E_RNA)
where:
Base-Base interactions energy: -332.850
where: short stacking energy: -136.467
Base-Backbone interact. energy: 5.654
local terms energy: -155.084104
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -30.425
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: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -459.960120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.960120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.449495 (E_RNA)
where:
Base-Base interactions energy: -332.773
where: short stacking energy: -137.352
Base-Backbone interact. energy: -0.049
local terms energy: -127.627508
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -31.283
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: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -448.870496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.870496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.309973 (E_RNA)
where:
Base-Base interactions energy: -326.389
where: short stacking energy: -137.949
Base-Backbone interact. energy: -0.028
local terms energy: -122.893100
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -472.782693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.782693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.564109 (E_RNA)
where:
Base-Base interactions energy: -322.041
where: short stacking energy: -126.012
Base-Backbone interact. energy: -2.099
local terms energy: -149.424424
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -39.448
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: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -391.277387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.277387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.787505 (E_RNA)
where:
Base-Base interactions energy: -273.141
where: short stacking energy: -111.065
Base-Backbone interact. energy: -0.254
local terms energy: -125.392768
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 7.510 (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: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -544.695355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.695355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.755127 (E_RNA)
where:
Base-Base interactions energy: -385.017
where: short stacking energy: -151.540
Base-Backbone interact. energy: -0.613
local terms energy: -159.125380
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -35.272
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -522.698045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.698045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.888587 (E_RNA)
where:
Base-Base interactions energy: -374.414
where: short stacking energy: -145.018
Base-Backbone interact. energy: -0.215
local terms energy: -148.259221
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -38.605
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: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -528.689544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.689544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.067917 (E_RNA)
where:
Base-Base interactions energy: -358.670
where: short stacking energy: -140.349
Base-Backbone interact. energy: -0.963
local terms energy: -169.434613
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -38.935
flat angles C4'-P-C4' energy: -36.019
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -40.864
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: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -515.741324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.741324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.797312 (E_RNA)
where:
Base-Base interactions energy: -344.738
where: short stacking energy: -147.826
Base-Backbone interact. energy: -0.645
local terms energy: -170.414259
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -40.276
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -495.342616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.342616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.621918 (E_RNA)
where:
Base-Base interactions energy: -335.615
where: short stacking energy: -125.307
Base-Backbone interact. energy: -1.324
local terms energy: -158.683138
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -36.705
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: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -474.425079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.425079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.527524 (E_RNA)
where:
Base-Base interactions energy: -341.293
where: short stacking energy: -139.688
Base-Backbone interact. energy: -0.753
local terms energy: -132.482104
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -30.704
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -463.889404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.889404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.086764 (E_RNA)
where:
Base-Base interactions energy: -329.019
where: short stacking energy: -127.768
Base-Backbone interact. energy: -0.324
local terms energy: -134.744302
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -30.523
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -466.251451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.251451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.721804 (E_RNA)
where:
Base-Base interactions energy: -325.459
where: short stacking energy: -124.502
Base-Backbone interact. energy: -0.481
local terms energy: -141.781191
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -25.267
flat angles C4'-P-C4' energy: -30.190
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -37.567
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: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -459.149265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.149265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.363946 (E_RNA)
where:
Base-Base interactions energy: -324.172
where: short stacking energy: -143.286
Base-Backbone interact. energy: -0.709
local terms energy: -135.482381
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -38.472
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -378.399079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.399079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.508636 (E_RNA)
where:
Base-Base interactions energy: -266.661
where: short stacking energy: -94.545
Base-Backbone interact. energy: 0.250
local terms energy: -116.097181
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -536.076984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.076984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.142684 (E_RNA)
where:
Base-Base interactions energy: -368.072
where: short stacking energy: -150.073
Base-Backbone interact. energy: -0.981
local terms energy: -167.089408
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -29.704
tors. eta vs tors. theta energy: -38.866
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: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -515.943963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.943963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.220673 (E_RNA)
where:
Base-Base interactions energy: -356.303
where: short stacking energy: -138.439
Base-Backbone interact. energy: 3.105
local terms energy: -163.023114
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -37.864
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -532.515994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.515994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.814284 (E_RNA)
where:
Base-Base interactions energy: -365.523
where: short stacking energy: -152.496
Base-Backbone interact. energy: -1.599
local terms energy: -165.692846
where:
bonds (distance) C4'-P energy: -31.298
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -41.608
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: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -508.798136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.798136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.082216 (E_RNA)
where:
Base-Base interactions energy: -348.934
where: short stacking energy: -141.726
Base-Backbone interact. energy: 1.537
local terms energy: -161.685271
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -39.725
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -496.371753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.371753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.550867 (E_RNA)
where:
Base-Base interactions energy: -348.904
where: short stacking energy: -141.516
Base-Backbone interact. energy: -0.005
local terms energy: -147.641507
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -40.378
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -490.209896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.209896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.790203 (E_RNA)
where:
Base-Base interactions energy: -335.562
where: short stacking energy: -127.445
Base-Backbone interact. energy: -1.478
local terms energy: -153.750646
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -41.418
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: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -470.934726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.934726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.122204 (E_RNA)
where:
Base-Base interactions energy: -317.753
where: short stacking energy: -128.482
Base-Backbone interact. energy: -0.927
local terms energy: -152.442248
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -35.003
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: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -466.431324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.929793 (E_RNA)
where:
Base-Base interactions energy: -320.409
where: short stacking energy: -122.095
Base-Backbone interact. energy: 0.452
local terms energy: -146.972663
where:
bonds (distance) C4'-P energy: -29.158
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -28.880
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -37.878
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: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -455.666879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.666879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.266790 (E_RNA)
where:
Base-Base interactions energy: -312.021
where: short stacking energy: -126.746
Base-Backbone interact. energy: -1.458
local terms energy: -143.788484
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -37.013
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -423.146089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.146089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.403293 (E_RNA)
where:
Base-Base interactions energy: -278.766
where: short stacking energy: -109.785
Base-Backbone interact. energy: -0.065
local terms energy: -150.571763
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 6.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -551.552733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.552733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.860788 (E_RNA)
where:
Base-Base interactions energy: -389.962
where: short stacking energy: -163.233
Base-Backbone interact. energy: -0.969
local terms energy: -160.930348
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -41.280
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -544.163508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.163508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.329386 (E_RNA)
where:
Base-Base interactions energy: -374.585
where: short stacking energy: -157.356
Base-Backbone interact. energy: -1.138
local terms energy: -168.606833
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -46.217
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: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -520.753941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.753941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.884376 (E_RNA)
where:
Base-Base interactions energy: -369.680
where: short stacking energy: -143.606
Base-Backbone interact. energy: -0.259
local terms energy: -150.945903
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -26.302
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -41.015
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: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -521.140044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.140044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.511531 (E_RNA)
where:
Base-Base interactions energy: -355.553
where: short stacking energy: -150.252
Base-Backbone interact. energy: 1.553
local terms energy: -167.511151
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -45.752
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -497.405914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.405914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.698375 (E_RNA)
where:
Base-Base interactions energy: -345.526
where: short stacking energy: -146.545
Base-Backbone interact. energy: 0.995
local terms energy: -153.167151
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -44.443
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: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -498.775875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.775875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.042747 (E_RNA)
where:
Base-Base interactions energy: -355.230
where: short stacking energy: -143.599
Base-Backbone interact. energy: 2.108
local terms energy: -145.921027
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -38.377
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: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -477.484567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.484567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.409839 (E_RNA)
where:
Base-Base interactions energy: -327.725
where: short stacking energy: -133.144
Base-Backbone interact. energy: -0.162
local terms energy: -150.522855
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -30.292
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: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -469.071736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.071736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.592438 (E_RNA)
where:
Base-Base interactions energy: -330.989
where: short stacking energy: -125.684
Base-Backbone interact. energy: -0.758
local terms energy: -137.845360
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -33.671
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: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -449.344228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.344228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.709326 (E_RNA)
where:
Base-Base interactions energy: -306.754
where: short stacking energy: -108.723
Base-Backbone interact. energy: -1.130
local terms energy: -142.825869
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -22.278
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: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -429.389718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.296181 (E_RNA)
where:
Base-Base interactions energy: -301.090
where: short stacking energy: -119.284
Base-Backbone interact. energy: -0.334
local terms energy: -128.871609
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -35.321
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: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -551.527646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.527646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.950340 (E_RNA)
where:
Base-Base interactions energy: -378.422
where: short stacking energy: -153.315
Base-Backbone interact. energy: -1.449
local terms energy: -172.079920
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -43.575
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -529.683805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.683805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.786761 (E_RNA)
where:
Base-Base interactions energy: -371.926
where: short stacking energy: -144.627
Base-Backbone interact. energy: -0.410
local terms energy: -157.450973
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -37.109
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: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -519.013097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.013097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.127768 (E_RNA)
where:
Base-Base interactions energy: -357.515
where: short stacking energy: -140.108
Base-Backbone interact. energy: -0.463
local terms energy: -161.150443
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -40.264
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: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -513.818055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.818055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.006476 (E_RNA)
where:
Base-Base interactions energy: -348.777
where: short stacking energy: -140.844
Base-Backbone interact. energy: -1.113
local terms energy: -164.116242
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -30.189
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -41.302
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: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -504.309542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.309542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.777125 (E_RNA)
where:
Base-Base interactions energy: -355.685
where: short stacking energy: -144.395
Base-Backbone interact. energy: -2.073
local terms energy: -147.019279
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -38.626
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -478.853075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.853075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.279517 (E_RNA)
where:
Base-Base interactions energy: -324.803
where: short stacking energy: -134.935
Base-Backbone interact. energy: -0.185
local terms energy: -154.291616
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -36.894
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: 32
Temperature: 1.200000
Total energy: -476.302165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.302165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.578819 (E_RNA)
where:
Base-Base interactions energy: -324.956
where: short stacking energy: -125.338
Base-Backbone interact. energy: -0.835
local terms energy: -150.787427
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -30.554
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: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -455.352391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.352391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.532214 (E_RNA)
where:
Base-Base interactions energy: -333.518
where: short stacking energy: -123.406
Base-Backbone interact. energy: 6.143
local terms energy: -128.157515
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -25.266
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: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -441.611979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.611979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.946334 (E_RNA)
where:
Base-Base interactions energy: -311.172
where: short stacking energy: -105.057
Base-Backbone interact. energy: -0.810
local terms energy: -131.964633
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 2.334 (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: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -410.763950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.763950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.346755 (E_RNA)
where:
Base-Base interactions energy: -296.803
where: short stacking energy: -119.689
Base-Backbone interact. energy: 1.107
local terms energy: -115.650888
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -544.760435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.760435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.355676 (E_RNA)
where:
Base-Base interactions energy: -376.535
where: short stacking energy: -146.548
Base-Backbone interact. energy: -0.898
local terms energy: -167.922526
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -38.866
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -40.562
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: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -549.370770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.370770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.533562 (E_RNA)
where:
Base-Base interactions energy: -369.868
where: short stacking energy: -139.456
Base-Backbone interact. energy: -1.828
local terms energy: -177.837416
where:
bonds (distance) C4'-P energy: -34.189
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -38.632
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -42.558
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -520.017710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.017710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.287800 (E_RNA)
where:
Base-Base interactions energy: -357.345
where: short stacking energy: -138.870
Base-Backbone interact. energy: -0.940
local terms energy: -162.002692
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -36.914
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -35.951
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -532.203144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.203144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.090778 (E_RNA)
where:
Base-Base interactions energy: -367.249
where: short stacking energy: -150.261
Base-Backbone interact. energy: -0.357
local terms energy: -165.484403
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -508.748586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.748586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.019611 (E_RNA)
where:
Base-Base interactions energy: -348.558
where: short stacking energy: -156.419
Base-Backbone interact. energy: -0.152
local terms energy: -160.310184
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -42.804
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: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -499.484449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.484449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.608110 (E_RNA)
where:
Base-Base interactions energy: -339.810
where: short stacking energy: -135.648
Base-Backbone interact. energy: -0.405
local terms energy: -159.392575
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -42.573
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -466.965941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.965941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.423306 (E_RNA)
where:
Base-Base interactions energy: -320.483
where: short stacking energy: -125.442
Base-Backbone interact. energy: -1.072
local terms energy: -145.868481
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -33.707
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: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -462.264261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.264261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.053236 (E_RNA)
where:
Base-Base interactions energy: -328.035
where: short stacking energy: -137.742
Base-Backbone interact. energy: -1.215
local terms energy: -134.803172
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -35.267
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -457.177621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.177621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.547983 (E_RNA)
where:
Base-Base interactions energy: -329.041
where: short stacking energy: -132.102
Base-Backbone interact. energy: -0.768
local terms energy: -127.739420
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -35.014
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -422.358057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.358057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.076821 (E_RNA)
where:
Base-Base interactions energy: -300.940
where: short stacking energy: -116.607
Base-Backbone interact. energy: 0.058
local terms energy: -124.194855
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -573.552655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.552655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.553192 (E_RNA)
where:
Base-Base interactions energy: -395.689
where: short stacking energy: -160.733
Base-Backbone interact. energy: -2.025
local terms energy: -175.839711
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -38.680
flat angles C4'-P-C4' energy: -41.364
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -530.252078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.252078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.929774 (E_RNA)
where:
Base-Base interactions energy: -366.260
where: short stacking energy: -148.925
Base-Backbone interact. energy: -1.955
local terms energy: -162.715437
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -38.510
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -42.897
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: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -528.188404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.188404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.317360 (E_RNA)
where:
Base-Base interactions energy: -366.500
where: short stacking energy: -149.027
Base-Backbone interact. energy: -0.334
local terms energy: -161.483520
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -33.662
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -531.301763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.301763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.011668 (E_RNA)
where:
Base-Base interactions energy: -370.207
where: short stacking energy: -147.013
Base-Backbone interact. energy: -1.615
local terms energy: -160.189310
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -42.423
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -482.933550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.933550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.381435 (E_RNA)
where:
Base-Base interactions energy: -341.028
where: short stacking energy: -134.503
Base-Backbone interact. energy: -1.436
local terms energy: -140.917328
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -38.348
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: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -496.339167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.339167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.405458 (E_RNA)
where:
Base-Base interactions energy: -357.014
where: short stacking energy: -142.042
Base-Backbone interact. energy: 1.248
local terms energy: -140.639592
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -39.905
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -470.108080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.108080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.452552 (E_RNA)
where:
Base-Base interactions energy: -330.891
where: short stacking energy: -127.663
Base-Backbone interact. energy: 1.058
local terms energy: -140.619563
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -38.730
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: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -457.627906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.627906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.186125 (E_RNA)
where:
Base-Base interactions energy: -300.669
where: short stacking energy: -125.133
Base-Backbone interact. energy: -0.407
local terms energy: -157.109738
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -32.919
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: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -449.595456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.595456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.914621 (E_RNA)
where:
Base-Base interactions energy: -296.209
where: short stacking energy: -113.254
Base-Backbone interact. energy: -0.632
local terms energy: -153.072861
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -38.400
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: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -430.710555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.710555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.114626 (E_RNA)
where:
Base-Base interactions energy: -294.234
where: short stacking energy: -114.590
Base-Backbone interact. energy: -0.520
local terms energy: -136.360409
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -34.109
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -570.034536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.034536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.152338 (E_RNA)
where:
Base-Base interactions energy: -387.467
where: short stacking energy: -163.155
Base-Backbone interact. energy: -1.689
local terms energy: -180.996400
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -48.078
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -531.611604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.611604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.767760 (E_RNA)
where:
Base-Base interactions energy: -366.967
where: short stacking energy: -134.907
Base-Backbone interact. energy: -1.187
local terms energy: -163.614008
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -41.302
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: 35
Temperature: 1.000000
Total energy: -525.763852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.763852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.155947 (E_RNA)
where:
Base-Base interactions energy: -368.961
where: short stacking energy: -154.619
Base-Backbone interact. energy: -0.534
local terms energy: -156.661033
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -40.330
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -519.891011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.891011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.416491 (E_RNA)
where:
Base-Base interactions energy: -363.101
where: short stacking energy: -143.817
Base-Backbone interact. energy: -0.525
local terms energy: -156.790596
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -41.308
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: 35
Temperature: 1.100000
Total energy: -482.637047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.637047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.993639 (E_RNA)
where:
Base-Base interactions energy: -324.435
where: short stacking energy: -124.441
Base-Backbone interact. energy: -0.083
local terms energy: -158.476351
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -36.577
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: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -482.168842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.168842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.627532 (E_RNA)
where:
Base-Base interactions energy: -325.907
where: short stacking energy: -125.500
Base-Backbone interact. energy: -1.819
local terms energy: -154.901220
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -34.036
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -39.751
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -498.626991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.626991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.925702 (E_RNA)
where:
Base-Base interactions energy: -352.876
where: short stacking energy: -138.754
Base-Backbone interact. energy: -0.430
local terms energy: -145.620135
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -42.547
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -455.726248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.726248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.270680 (E_RNA)
where:
Base-Base interactions energy: -312.884
where: short stacking energy: -120.768
Base-Backbone interact. energy: -0.345
local terms energy: -143.041578
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -39.511
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: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -456.375161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.375161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.507011 (E_RNA)
where:
Base-Base interactions energy: -313.906
where: short stacking energy: -118.010
Base-Backbone interact. energy: -0.363
local terms energy: -142.238530
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -36.683
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: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -424.020096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.020096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.507428 (E_RNA)
where:
Base-Base interactions energy: -307.492
where: short stacking energy: -107.796
Base-Backbone interact. energy: -1.175
local terms energy: -115.840361
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -24.812
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -555.983769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.983769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.174434 (E_RNA)
where:
Base-Base interactions energy: -386.821
where: short stacking energy: -163.273
Base-Backbone interact. energy: 3.826
local terms energy: -173.178844
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -36.039
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -46.221
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -520.384785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.384785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.588310 (E_RNA)
where:
Base-Base interactions energy: -368.258
where: short stacking energy: -154.133
Base-Backbone interact. energy: -0.086
local terms energy: -152.244709
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -28.508
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -38.383
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: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -532.229477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.229477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.797419 (E_RNA)
where:
Base-Base interactions energy: -369.774
where: short stacking energy: -154.111
Base-Backbone interact. energy: -0.096
local terms energy: -162.927763
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -507.164929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.164929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.379772 (E_RNA)
where:
Base-Base interactions energy: -351.486
where: short stacking energy: -140.177
Base-Backbone interact. energy: -0.567
local terms energy: -156.327250
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -40.536
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -493.516782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.516782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.161671 (E_RNA)
where:
Base-Base interactions energy: -333.161
where: short stacking energy: -141.039
Base-Backbone interact. energy: -0.773
local terms energy: -160.227488
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -41.298
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -492.839259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.839259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.124253 (E_RNA)
where:
Base-Base interactions energy: -328.168
where: short stacking energy: -134.982
Base-Backbone interact. energy: 0.797
local terms energy: -165.753004
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -39.813
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -500.551602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.551602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.949580 (E_RNA)
where:
Base-Base interactions energy: -341.062
where: short stacking energy: -133.484
Base-Backbone interact. energy: -1.011
local terms energy: -158.877406
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -40.302
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: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -476.353037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.353037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.061305 (E_RNA)
where:
Base-Base interactions energy: -333.038
where: short stacking energy: -127.229
Base-Backbone interact. energy: -1.214
local terms energy: -142.809546
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -454.462199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.462199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.949848 (E_RNA)
where:
Base-Base interactions energy: -316.036
where: short stacking energy: -115.868
Base-Backbone interact. energy: -0.432
local terms energy: -138.482126
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -28.121
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -441.248055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.248055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.800567 (E_RNA)
where:
Base-Base interactions energy: -295.489
where: short stacking energy: -119.700
Base-Backbone interact. energy: -0.422
local terms energy: -145.889375
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -33.749
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: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -558.333422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.581082 (E_RNA)
where:
Base-Base interactions energy: -385.332
where: short stacking energy: -147.921
Base-Backbone interact. energy: -2.297
local terms energy: -170.952338
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -44.905
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: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -520.255340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.255340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.313701 (E_RNA)
where:
Base-Base interactions energy: -351.267
where: short stacking energy: -139.979
Base-Backbone interact. energy: 1.077
local terms energy: -170.123896
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -40.101
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -520.199977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.199977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.468828 (E_RNA)
where:
Base-Base interactions energy: -356.329
where: short stacking energy: -142.013
Base-Backbone interact. energy: -0.877
local terms energy: -163.263021
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -38.563
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -517.227959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.227959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.573682 (E_RNA)
where:
Base-Base interactions energy: -364.345
where: short stacking energy: -150.363
Base-Backbone interact. energy: -0.914
local terms energy: -152.314339
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -38.932
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: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -499.197062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.197062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.736591 (E_RNA)
where:
Base-Base interactions energy: -342.363
where: short stacking energy: -138.402
Base-Backbone interact. energy: -0.225
local terms energy: -157.148987
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -42.763
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: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -508.101557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.101557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.296649 (E_RNA)
where:
Base-Base interactions energy: -348.164
where: short stacking energy: -147.790
Base-Backbone interact. energy: -0.790
local terms energy: -159.342619
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -29.650
flat angles C4'-P-C4' energy: -36.694
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -44.438
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: 37
Temperature: 1.200000
Total energy: -479.357287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.357287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.802760 (E_RNA)
where:
Base-Base interactions energy: -335.258
where: short stacking energy: -127.953
Base-Backbone interact. energy: -0.402
local terms energy: -144.143424
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -32.047
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: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -464.854517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.854517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.999073 (E_RNA)
where:
Base-Base interactions energy: -322.807
where: short stacking energy: -139.245
Base-Backbone interact. energy: -0.918
local terms energy: -141.274654
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -31.749
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -35.387
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: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -454.384586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.384586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.906963 (E_RNA)
where:
Base-Base interactions energy: -323.800
where: short stacking energy: -127.190
Base-Backbone interact. energy: -0.641
local terms energy: -130.466309
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -29.068
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -465.379720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.379720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.676505 (E_RNA)
where:
Base-Base interactions energy: -326.273
where: short stacking energy: -131.215
Base-Backbone interact. energy: 2.814
local terms energy: -143.217787
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -35.102
Dist. restrs. and SS energy: 1.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -547.494857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.494857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.651191 (E_RNA)
where:
Base-Base interactions energy: -385.569
where: short stacking energy: -150.891
Base-Backbone interact. energy: -1.330
local terms energy: -160.752470
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -39.737
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: 38
Temperature: 0.950000
Total energy: -553.503444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.503444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.880079 (E_RNA)
where:
Base-Base interactions energy: -378.990
where: short stacking energy: -160.720
Base-Backbone interact. energy: -0.510
local terms energy: -174.379316
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -51.194
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -531.863948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.863948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.711745 (E_RNA)
where:
Base-Base interactions energy: -370.741
where: short stacking energy: -157.954
Base-Backbone interact. energy: 0.753
local terms energy: -162.723672
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -46.848
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: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -509.064053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.064053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.382529 (E_RNA)
where:
Base-Base interactions energy: -361.050
where: short stacking energy: -141.844
Base-Backbone interact. energy: -0.785
local terms energy: -147.547691
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -37.186
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: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -511.669364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.669364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.794540 (E_RNA)
where:
Base-Base interactions energy: -360.046
where: short stacking energy: -132.756
Base-Backbone interact. energy: 0.793
local terms energy: -152.540851
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -37.933
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: 38
Temperature: 1.150000
Total energy: -497.354277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.354277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.581781 (E_RNA)
where:
Base-Base interactions energy: -346.894
where: short stacking energy: -141.813
Base-Backbone interact. energy: 0.401
local terms energy: -152.089589
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -34.086
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -487.472743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.472743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.745682 (E_RNA)
where:
Base-Base interactions energy: -350.709
where: short stacking energy: -136.964
Base-Backbone interact. energy: -0.556
local terms energy: -136.481185
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -37.044
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: 38
Temperature: 1.250000
Total energy: -478.240150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.240150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.515892 (E_RNA)
where:
Base-Base interactions energy: -333.417
where: short stacking energy: -137.997
Base-Backbone interact. energy: 0.373
local terms energy: -145.471767
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -40.391
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -472.401778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.401778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.542253 (E_RNA)
where:
Base-Base interactions energy: -328.899
where: short stacking energy: -134.934
Base-Backbone interact. energy: -0.506
local terms energy: -144.137254
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -414.302684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.302684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.722398 (E_RNA)
where:
Base-Base interactions energy: -299.542
where: short stacking energy: -122.653
Base-Backbone interact. energy: -1.248
local terms energy: -115.931777
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 2.420 (S_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: 39
Temperature: 0.900000
Total energy: -550.396691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.396691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.894760 (E_RNA)
where:
Base-Base interactions energy: -375.011
where: short stacking energy: -144.849
Base-Backbone interact. energy: 0.249
local terms energy: -176.132559
where:
bonds (distance) C4'-P energy: -36.517
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -42.090
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -41.803
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: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -539.600308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.600308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.834086 (E_RNA)
where:
Base-Base interactions energy: -378.453
where: short stacking energy: -141.747
Base-Backbone interact. energy: 1.683
local terms energy: -163.063938
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -39.052
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: 39
Temperature: 1.000000
Total energy: -538.462042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.462042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.352479 (E_RNA)
where:
Base-Base interactions energy: -362.877
where: short stacking energy: -149.956
Base-Backbone interact. energy: -0.311
local terms energy: -176.164323
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -48.065
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -506.666537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.666537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.823706 (E_RNA)
where:
Base-Base interactions energy: -353.344
where: short stacking energy: -137.314
Base-Backbone interact. energy: -0.594
local terms energy: -152.886198
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -35.754
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: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -490.578493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.578493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.129588 (E_RNA)
where:
Base-Base interactions energy: -331.460
where: short stacking energy: -137.962
Base-Backbone interact. energy: -1.033
local terms energy: -158.636718
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -38.675
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: 39
Temperature: 1.150000
Total energy: -497.404644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.404644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.097731 (E_RNA)
where:
Base-Base interactions energy: -350.876
where: short stacking energy: -151.040
Base-Backbone interact. energy: 1.927
local terms energy: -149.148206
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -44.826
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: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -490.433255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.433255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.279657 (E_RNA)
where:
Base-Base interactions energy: -347.754
where: short stacking energy: -141.875
Base-Backbone interact. energy: 3.453
local terms energy: -146.979331
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -42.235
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: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -459.795984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.795984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.426869 (E_RNA)
where:
Base-Base interactions energy: -314.081
where: short stacking energy: -124.145
Base-Backbone interact. energy: -0.539
local terms energy: -145.807046
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -36.835
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -32.144
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -439.235411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.235411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.809537 (E_RNA)
where:
Base-Base interactions energy: -302.630
where: short stacking energy: -113.518
Base-Backbone interact. energy: -0.423
local terms energy: -136.756315
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -31.018
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -451.442567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.442567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.091404 (E_RNA)
where:
Base-Base interactions energy: -312.429
where: short stacking energy: -123.962
Base-Backbone interact. energy: 1.083
local terms energy: -140.745050
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -32.194
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -542.700481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.700481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.907999 (E_RNA)
where:
Base-Base interactions energy: -378.625
where: short stacking energy: -139.446
Base-Backbone interact. energy: -1.323
local terms energy: -162.959823
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -34.460
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: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -545.272891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.272891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.549484 (E_RNA)
where:
Base-Base interactions energy: -368.580
where: short stacking energy: -151.479
Base-Backbone interact. energy: 2.293
local terms energy: -179.262925
where:
bonds (distance) C4'-P energy: -37.962
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -36.657
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -46.418
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -542.070839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.070839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.982216 (E_RNA)
where:
Base-Base interactions energy: -376.011
where: short stacking energy: -157.139
Base-Backbone interact. energy: -1.278
local terms energy: -165.693612
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -41.937
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -521.480027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.480027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.976814 (E_RNA)
where:
Base-Base interactions energy: -361.196
where: short stacking energy: -146.627
Base-Backbone interact. energy: -0.514
local terms energy: -160.266756
where:
bonds (distance) C4'-P energy: -34.486
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -40.874
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: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -520.519380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.519380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.931692 (E_RNA)
where:
Base-Base interactions energy: -365.181
where: short stacking energy: -160.922
Base-Backbone interact. energy: -0.163
local terms energy: -155.587109
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -37.178
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -39.774
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -501.642160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.642160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.800606 (E_RNA)
where:
Base-Base interactions energy: -331.280
where: short stacking energy: -121.549
Base-Backbone interact. energy: -1.394
local terms energy: -169.126331
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -40.837
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -41.668
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: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -453.617128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.264242 (E_RNA)
where:
Base-Base interactions energy: -310.779
where: short stacking energy: -115.616
Base-Backbone interact. energy: -1.286
local terms energy: -145.199026
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 3.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -462.657780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.657780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.092702 (E_RNA)
where:
Base-Base interactions energy: -307.336
where: short stacking energy: -122.653
Base-Backbone interact. energy: -2.044
local terms energy: -153.712118
where:
bonds (distance) C4'-P energy: -32.681
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -33.489
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -36.777
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: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -438.558630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.558630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.032513 (E_RNA)
where:
Base-Base interactions energy: -305.278
where: short stacking energy: -110.535
Base-Backbone interact. energy: -0.826
local terms energy: -132.928230
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -35.049
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: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -446.549993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.549993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.865436 (E_RNA)
where:
Base-Base interactions energy: -300.413
where: short stacking energy: -115.530
Base-Backbone interact. energy: -0.861
local terms energy: -146.591539
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -34.859
Dist. restrs. and SS energy: 1.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -539.418963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.418963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.857099 (E_RNA)
where:
Base-Base interactions energy: -369.449
where: short stacking energy: -135.155
Base-Backbone interact. energy: -1.181
local terms energy: -169.227963
where:
bonds (distance) C4'-P energy: -35.172
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -34.251
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -536.792238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.792238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.931218 (E_RNA)
where:
Base-Base interactions energy: -368.543
where: short stacking energy: -154.199
Base-Backbone interact. energy: -1.684
local terms energy: -166.704404
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -40.966
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -524.488293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.488293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.064260 (E_RNA)
where:
Base-Base interactions energy: -345.769
where: short stacking energy: -139.873
Base-Backbone interact. energy: -0.165
local terms energy: -179.130436
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -41.412
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -520.762514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.762514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.859705 (E_RNA)
where:
Base-Base interactions energy: -373.338
where: short stacking energy: -152.810
Base-Backbone interact. energy: -0.656
local terms energy: -146.865297
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -41.501
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -497.448682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.448682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.820620 (E_RNA)
where:
Base-Base interactions energy: -343.671
where: short stacking energy: -127.710
Base-Backbone interact. energy: 1.339
local terms energy: -155.489152
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -30.970
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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -487.083245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.083245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.255257 (E_RNA)
where:
Base-Base interactions energy: -339.512
where: short stacking energy: -151.032
Base-Backbone interact. energy: 0.223
local terms energy: -147.966675
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -40.609
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: 41
Temperature: 1.200000
Total energy: -470.570253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.570253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.764341 (E_RNA)
where:
Base-Base interactions energy: -317.906
where: short stacking energy: -123.957
Base-Backbone interact. energy: 0.921
local terms energy: -153.779254
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -37.137
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -36.428
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: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -454.645246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.645246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.216219 (E_RNA)
where:
Base-Base interactions energy: -313.900
where: short stacking energy: -124.430
Base-Backbone interact. energy: -0.176
local terms energy: -141.140088
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -35.987
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: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -478.952302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.952302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.207866 (E_RNA)
where:
Base-Base interactions energy: -324.976
where: short stacking energy: -127.731
Base-Backbone interact. energy: 0.711
local terms energy: -154.942862
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -34.984
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -435.271103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.271103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.148254 (E_RNA)
where:
Base-Base interactions energy: -288.645
where: short stacking energy: -114.880
Base-Backbone interact. energy: 1.412
local terms energy: -148.914690
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -32.810
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -29.830
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: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -564.287542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.287542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.017055 (E_RNA)
where:
Base-Base interactions energy: -383.443
where: short stacking energy: -169.388
Base-Backbone interact. energy: -1.056
local terms energy: -180.517965
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -45.145
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: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -531.026030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.026030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.639012 (E_RNA)
where:
Base-Base interactions energy: -377.423
where: short stacking energy: -136.893
Base-Backbone interact. energy: 0.033
local terms energy: -154.249001
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -35.799
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: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -526.994518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.994518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.439342 (E_RNA)
where:
Base-Base interactions energy: -360.021
where: short stacking energy: -145.817
Base-Backbone interact. energy: 2.922
local terms energy: -170.340783
where:
bonds (distance) C4'-P energy: -35.066
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -41.771
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -506.659700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.659700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.390749 (E_RNA)
where:
Base-Base interactions energy: -336.486
where: short stacking energy: -136.487
Base-Backbone interact. energy: -1.718
local terms energy: -169.186884
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -40.681
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: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -493.094710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.094710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.534458 (E_RNA)
where:
Base-Base interactions energy: -331.481
where: short stacking energy: -141.037
Base-Backbone interact. energy: -0.743
local terms energy: -161.311361
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -39.386
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -482.596634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.596634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.871424 (E_RNA)
where:
Base-Base interactions energy: -347.374
where: short stacking energy: -139.750
Base-Backbone interact. energy: 0.701
local terms energy: -136.199029
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -35.312
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -456.863583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.863583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.199215 (E_RNA)
where:
Base-Base interactions energy: -315.016
where: short stacking energy: -119.745
Base-Backbone interact. energy: -0.720
local terms energy: -141.463333
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -30.299
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: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -454.541642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.541642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.521869 (E_RNA)
where:
Base-Base interactions energy: -313.612
where: short stacking energy: -116.836
Base-Backbone interact. energy: 3.798
local terms energy: -146.707845
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -33.692
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -434.931817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.931817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.224361 (E_RNA)
where:
Base-Base interactions energy: -307.037
where: short stacking energy: -107.314
Base-Backbone interact. energy: -0.534
local terms energy: -129.653850
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -30.802
Dist. restrs. and SS energy: 2.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -449.057811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.057811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.985817 (E_RNA)
where:
Base-Base interactions energy: -312.694
where: short stacking energy: -117.475
Base-Backbone interact. energy: -0.575
local terms energy: -136.716297
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -35.183
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: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -558.304419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.304419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.918300 (E_RNA)
where:
Base-Base interactions energy: -383.993
where: short stacking energy: -157.640
Base-Backbone interact. energy: -0.705
local terms energy: -174.220680
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -46.451
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -524.641578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.641578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.266682 (E_RNA)
where:
Base-Base interactions energy: -363.847
where: short stacking energy: -149.558
Base-Backbone interact. energy: -1.094
local terms energy: -160.326338
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -37.418
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -43.001
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: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -531.559243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.559243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.749304 (E_RNA)
where:
Base-Base interactions energy: -361.882
where: short stacking energy: -156.008
Base-Backbone interact. energy: -0.728
local terms energy: -169.138472
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -41.174
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: 43
Temperature: 1.050000
Total energy: -505.156478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.156478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.883323 (E_RNA)
where:
Base-Base interactions energy: -345.495
where: short stacking energy: -131.994
Base-Backbone interact. energy: 0.376
local terms energy: -160.764371
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -37.082
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -494.739684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.739684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.085980 (E_RNA)
where:
Base-Base interactions energy: -336.584
where: short stacking energy: -137.179
Base-Backbone interact. energy: 1.413
local terms energy: -159.914703
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -39.643
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -486.264936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.264936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.180326 (E_RNA)
where:
Base-Base interactions energy: -337.222
where: short stacking energy: -131.000
Base-Backbone interact. energy: -0.147
local terms energy: -149.811489
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -37.557
Dist. restrs. and SS energy: 0.915 (S_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: 43
Temperature: 1.200000
Total energy: -467.719134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.719134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.699809 (E_RNA)
where:
Base-Base interactions energy: -332.380
where: short stacking energy: -117.179
Base-Backbone interact. energy: -0.891
local terms energy: -135.429258
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -450.839176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.839176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.844914 (E_RNA)
where:
Base-Base interactions energy: -316.500
where: short stacking energy: -124.909
Base-Backbone interact. energy: -0.596
local terms energy: -137.748999
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -32.270
Dist. restrs. and SS energy: 4.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -421.793467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.793467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.630570 (E_RNA)
where:
Base-Base interactions energy: -300.439
where: short stacking energy: -106.476
Base-Backbone interact. energy: 1.757
local terms energy: -123.948636
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -461.476109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.476109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.605597 (E_RNA)
where:
Base-Base interactions energy: -313.667
where: short stacking energy: -128.184
Base-Backbone interact. energy: -0.990
local terms energy: -147.948807
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -39.642
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -555.310235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.310235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.015571 (E_RNA)
where:
Base-Base interactions energy: -379.731
where: short stacking energy: -157.433
Base-Backbone interact. energy: 0.315
local terms energy: -176.599456
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -49.079
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -542.561623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.561623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.992884 (E_RNA)
where:
Base-Base interactions energy: -371.730
where: short stacking energy: -143.793
Base-Backbone interact. energy: -2.165
local terms energy: -169.097755
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -43.470
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: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -517.408444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.408444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.257817 (E_RNA)
where:
Base-Base interactions energy: -353.218
where: short stacking energy: -140.926
Base-Backbone interact. energy: 0.642
local terms energy: -165.681318
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -37.992
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: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -523.999144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.999144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.074762 (E_RNA)
where:
Base-Base interactions energy: -371.899
where: short stacking energy: -142.782
Base-Backbone interact. energy: -0.115
local terms energy: -152.060974
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -30.263
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -42.843
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: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -510.566264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.566264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.319159 (E_RNA)
where:
Base-Base interactions energy: -350.918
where: short stacking energy: -139.582
Base-Backbone interact. energy: -0.655
local terms energy: -159.747041
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -484.509244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.509244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.329569 (E_RNA)
where:
Base-Base interactions energy: -335.364
where: short stacking energy: -135.163
Base-Backbone interact. energy: -0.324
local terms energy: -149.640751
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -38.035
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -488.376891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.376891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.914833 (E_RNA)
where:
Base-Base interactions energy: -338.690
where: short stacking energy: -139.157
Base-Backbone interact. energy: 0.825
local terms energy: -152.049347
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -463.292760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.292760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.506740 (E_RNA)
where:
Base-Base interactions energy: -323.886
where: short stacking energy: -123.878
Base-Backbone interact. energy: -2.136
local terms energy: -137.484677
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -34.408
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -449.642413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.642413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.058171 (E_RNA)
where:
Base-Base interactions energy: -313.246
where: short stacking energy: -113.918
Base-Backbone interact. energy: 1.448
local terms energy: -138.260666
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -28.022
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -434.161808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.161808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.737827 (E_RNA)
where:
Base-Base interactions energy: -307.353
where: short stacking energy: -121.427
Base-Backbone interact. energy: -0.202
local terms energy: -127.183239
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -36.539
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: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -565.145628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.145628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.802276 (E_RNA)
where:
Base-Base interactions energy: -391.151
where: short stacking energy: -155.348
Base-Backbone interact. energy: -0.704
local terms energy: -173.946919
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -41.186
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: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -544.604323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.604323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.946449 (E_RNA)
where:
Base-Base interactions energy: -390.627
where: short stacking energy: -150.965
Base-Backbone interact. energy: -0.738
local terms energy: -153.581213
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -44.220
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: 45
Temperature: 1.000000
Total energy: -527.237870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.237870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.753663 (E_RNA)
where:
Base-Base interactions energy: -369.120
where: short stacking energy: -149.535
Base-Backbone interact. energy: -1.084
local terms energy: -157.549338
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -43.265
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -517.562578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.562578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.726637 (E_RNA)
where:
Base-Base interactions energy: -344.131
where: short stacking energy: -140.275
Base-Backbone interact. energy: -1.414
local terms energy: -172.181849
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -41.071
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -502.235192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.235192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.118271 (E_RNA)
where:
Base-Base interactions energy: -348.774
where: short stacking energy: -131.995
Base-Backbone interact. energy: 0.460
local terms energy: -154.804096
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -32.688
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -492.558372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.558372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.784269 (E_RNA)
where:
Base-Base interactions energy: -331.543
where: short stacking energy: -139.130
Base-Backbone interact. energy: 1.392
local terms energy: -162.633033
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -41.155
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: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -485.979905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.979905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.232627 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -133.277
Base-Backbone interact. energy: 0.903
local terms energy: -161.335002
where:
bonds (distance) C4'-P energy: -34.554
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -38.591
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -466.194168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.194168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.019612 (E_RNA)
where:
Base-Base interactions energy: -327.776
where: short stacking energy: -132.925
Base-Backbone interact. energy: 1.992
local terms energy: -141.235453
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -35.159
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: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -440.014664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.014664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.848209 (E_RNA)
where:
Base-Base interactions energy: -300.125
where: short stacking energy: -109.449
Base-Backbone interact. energy: -0.809
local terms energy: -139.914465
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -425.884960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.884960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.813694 (E_RNA)
where:
Base-Base interactions energy: -296.618
where: short stacking energy: -118.753
Base-Backbone interact. energy: 0.921
local terms energy: -131.117619
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -34.468
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -557.641906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.641906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.844457 (E_RNA)
where:
Base-Base interactions energy: -385.944
where: short stacking energy: -156.448
Base-Backbone interact. energy: -0.086
local terms energy: -171.814842
where:
bonds (distance) C4'-P energy: -33.569
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -43.472
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: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -540.194554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.194554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.838658 (E_RNA)
where:
Base-Base interactions energy: -370.174
where: short stacking energy: -158.990
Base-Backbone interact. energy: -0.513
local terms energy: -170.151751
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -537.270245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.270245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.324069 (E_RNA)
where:
Base-Base interactions energy: -360.940
where: short stacking energy: -150.989
Base-Backbone interact. energy: -0.896
local terms energy: -175.487637
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -44.037
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: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -512.491002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.491002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.620241 (E_RNA)
where:
Base-Base interactions energy: -348.044
where: short stacking energy: -148.734
Base-Backbone interact. energy: 0.604
local terms energy: -165.180291
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -43.642
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: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -513.286227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.286227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.741284 (E_RNA)
where:
Base-Base interactions energy: -360.886
where: short stacking energy: -153.394
Base-Backbone interact. energy: -0.570
local terms energy: -152.285629
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -42.197
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -492.022757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.022757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.571641 (E_RNA)
where:
Base-Base interactions energy: -348.344
where: short stacking energy: -138.185
Base-Backbone interact. energy: 0.101
local terms energy: -144.328204
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -41.371
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: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -475.872434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.872434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.068053 (E_RNA)
where:
Base-Base interactions energy: -337.882
where: short stacking energy: -145.482
Base-Backbone interact. energy: 0.356
local terms energy: -138.542069
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -37.085
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: 46
Temperature: 1.250000
Total energy: -468.080077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.080077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.563800 (E_RNA)
where:
Base-Base interactions energy: -328.950
where: short stacking energy: -131.533
Base-Backbone interact. energy: 1.101
local terms energy: -140.714472
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -38.292
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -442.643780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.643780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.018015 (E_RNA)
where:
Base-Base interactions energy: -298.840
where: short stacking energy: -110.997
Base-Backbone interact. energy: -0.275
local terms energy: -143.903040
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -33.690
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -29.432
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: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -440.870415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.870415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.862274 (E_RNA)
where:
Base-Base interactions energy: -313.921
where: short stacking energy: -111.634
Base-Backbone interact. energy: -0.393
local terms energy: -127.547739
where:
bonds (distance) C4'-P energy: -29.962
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -27.741
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -548.702328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.702328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.885208 (E_RNA)
where:
Base-Base interactions energy: -392.000
where: short stacking energy: -151.919
Base-Backbone interact. energy: -0.604
local terms energy: -156.281624
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -46.866
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -519.584495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.584495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.072271 (E_RNA)
where:
Base-Base interactions energy: -351.344
where: short stacking energy: -151.512
Base-Backbone interact. energy: -1.139
local terms energy: -167.589180
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -538.489643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.489643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.157767 (E_RNA)
where:
Base-Base interactions energy: -373.590
where: short stacking energy: -158.217
Base-Backbone interact. energy: -0.104
local terms energy: -165.463806
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -44.423
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -499.176514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.176514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.514844 (E_RNA)
where:
Base-Base interactions energy: -347.616
where: short stacking energy: -145.156
Base-Backbone interact. energy: 1.074
local terms energy: -152.973121
where:
bonds (distance) C4'-P energy: -27.854
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -41.658
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -513.142358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.142358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.413118 (E_RNA)
where:
Base-Base interactions energy: -360.175
where: short stacking energy: -154.685
Base-Backbone interact. energy: -1.201
local terms energy: -153.037635
where:
bonds (distance) C4'-P energy: -34.098
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -474.578068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.578068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.958995 (E_RNA)
where:
Base-Base interactions energy: -317.594
where: short stacking energy: -128.875
Base-Backbone interact. energy: -0.360
local terms energy: -157.004992
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -35.995
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -35.623
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: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -486.293729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.293729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.478951 (E_RNA)
where:
Base-Base interactions energy: -347.307
where: short stacking energy: -129.958
Base-Backbone interact. energy: 1.052
local terms energy: -140.223519
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -33.522
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: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -464.360442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.360442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.696377 (E_RNA)
where:
Base-Base interactions energy: -322.418
where: short stacking energy: -121.175
Base-Backbone interact. energy: -2.276
local terms energy: -140.002504
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -33.112
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -447.511995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.511995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.002654 (E_RNA)
where:
Base-Base interactions energy: -314.429
where: short stacking energy: -120.372
Base-Backbone interact. energy: -0.839
local terms energy: -132.734013
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -27.215
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: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -432.001325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.001325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.253950 (E_RNA)
where:
Base-Base interactions energy: -320.437
where: short stacking energy: -119.530
Base-Backbone interact. energy: -0.662
local terms energy: -111.154823
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -26.479
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -556.461599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.461599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.709608 (E_RNA)
where:
Base-Base interactions energy: -382.627
where: short stacking energy: -145.239
Base-Backbone interact. energy: -0.345
local terms energy: -173.737617
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -48.038
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: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -544.714326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.714326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.935335 (E_RNA)
where:
Base-Base interactions energy: -374.625
where: short stacking energy: -151.602
Base-Backbone interact. energy: -1.637
local terms energy: -168.672941
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -42.047
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -525.602965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.602965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.158327 (E_RNA)
where:
Base-Base interactions energy: -350.727
where: short stacking energy: -151.805
Base-Backbone interact. energy: -1.049
local terms energy: -174.382081
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -45.845
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: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -498.685989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.685989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.948432 (E_RNA)
where:
Base-Base interactions energy: -342.305
where: short stacking energy: -138.119
Base-Backbone interact. energy: 0.671
local terms energy: -157.314408
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -36.501
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: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -477.403066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.403066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.283288 (E_RNA)
where:
Base-Base interactions energy: -336.586
where: short stacking energy: -128.608
Base-Backbone interact. energy: -0.850
local terms energy: -140.847226
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -34.290
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: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -500.956527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.956527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.477105 (E_RNA)
where:
Base-Base interactions energy: -345.300
where: short stacking energy: -132.896
Base-Backbone interact. energy: -0.286
local terms energy: -155.890565
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -39.806
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: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -486.523785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.523785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.171802 (E_RNA)
where:
Base-Base interactions energy: -346.592
where: short stacking energy: -127.040
Base-Backbone interact. energy: -0.619
local terms energy: -139.960659
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -37.241
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -462.524924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.524924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.284540 (E_RNA)
where:
Base-Base interactions energy: -318.377
where: short stacking energy: -126.787
Base-Backbone interact. energy: -0.743
local terms energy: -144.164617
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -30.289
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -35.708
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -454.988741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.988741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.507017 (E_RNA)
where:
Base-Base interactions energy: -317.157
where: short stacking energy: -128.594
Base-Backbone interact. energy: -1.523
local terms energy: -136.827002
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -35.380
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: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -421.955301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.955301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.136025 (E_RNA)
where:
Base-Base interactions energy: -293.583
where: short stacking energy: -108.949
Base-Backbone interact. energy: 0.910
local terms energy: -129.462361
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -29.918
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: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -560.588905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.588905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.908892 (E_RNA)
where:
Base-Base interactions energy: -388.880
where: short stacking energy: -147.469
Base-Backbone interact. energy: -0.552
local terms energy: -171.477588
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -46.288
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -530.379688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.379688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.662125 (E_RNA)
where:
Base-Base interactions energy: -364.228
where: short stacking energy: -144.672
Base-Backbone interact. energy: 0.771
local terms energy: -167.205522
where:
bonds (distance) C4'-P energy: -32.276
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -43.930
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: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -532.119472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.119472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.373568 (E_RNA)
where:
Base-Base interactions energy: -358.274
where: short stacking energy: -138.968
Base-Backbone interact. energy: 0.043
local terms energy: -174.142796
where:
bonds (distance) C4'-P energy: -37.043
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -36.059
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: -40.085
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: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -510.846166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.846166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.093064 (E_RNA)
where:
Base-Base interactions energy: -354.680
where: short stacking energy: -148.528
Base-Backbone interact. energy: -0.892
local terms energy: -155.521524
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -41.961
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -501.844188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.844188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.705999 (E_RNA)
where:
Base-Base interactions energy: -342.926
where: short stacking energy: -130.624
Base-Backbone interact. energy: -0.235
local terms energy: -159.545203
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -35.546
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -36.852
Dist. restrs. and SS energy: 0.862 (S_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: 49
Temperature: 1.150000
Total energy: -460.463903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.463903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.367630 (E_RNA)
where:
Base-Base interactions energy: -318.422
where: short stacking energy: -121.770
Base-Backbone interact. energy: -1.847
local terms energy: -141.098843
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -29.838
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: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -475.203386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.203386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.492986 (E_RNA)
where:
Base-Base interactions energy: -320.702
where: short stacking energy: -135.428
Base-Backbone interact. energy: 0.300
local terms energy: -155.091346
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -36.707
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: 49
Temperature: 1.250000
Total energy: -452.783913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.783913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.336857 (E_RNA)
where:
Base-Base interactions energy: -324.479
where: short stacking energy: -116.196
Base-Backbone interact. energy: 1.448
local terms energy: -130.305885
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -28.492
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: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -445.415616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.415616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.933786 (E_RNA)
where:
Base-Base interactions energy: -315.725
where: short stacking energy: -115.538
Base-Backbone interact. energy: -0.130
local terms energy: -131.078600
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -32.216
Dist. restrs. and SS energy: 1.518 (S_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: -428.638836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.638836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.248223 (E_RNA)
where:
Base-Base interactions energy: -303.561
where: short stacking energy: -116.893
Base-Backbone interact. energy: 9.925
local terms energy: -135.611759
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -27.439
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: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -554.567824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.567824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.094077 (E_RNA)
where:
Base-Base interactions energy: -392.646
where: short stacking energy: -149.090
Base-Backbone interact. energy: -2.369
local terms energy: -160.078938
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -44.175
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: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -536.798129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.798129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.979456 (E_RNA)
where:
Base-Base interactions energy: -362.118
where: short stacking energy: -157.144
Base-Backbone interact. energy: -1.073
local terms energy: -173.788417
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -45.939
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: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -520.690853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.690853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.469655 (E_RNA)
where:
Base-Base interactions energy: -353.428
where: short stacking energy: -146.283
Base-Backbone interact. energy: -0.956
local terms energy: -167.086122
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -46.832
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -517.159669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.159669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.745058 (E_RNA)
where:
Base-Base interactions energy: -360.852
where: short stacking energy: -139.625
Base-Backbone interact. energy: -1.098
local terms energy: -155.794944
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -38.471
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -498.240937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.240937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.634443 (E_RNA)
where:
Base-Base interactions energy: -351.633
where: short stacking energy: -144.093
Base-Backbone interact. energy: 4.778
local terms energy: -151.779885
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -39.633
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: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -488.781541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.781541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.258983 (E_RNA)
where:
Base-Base interactions energy: -338.011
where: short stacking energy: -145.006
Base-Backbone interact. energy: -0.737
local terms energy: -150.510424
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -28.231
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -475.012143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.012143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.572361 (E_RNA)
where:
Base-Base interactions energy: -329.233
where: short stacking energy: -127.735
Base-Backbone interact. energy: -0.616
local terms energy: -145.723023
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: -35.543
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: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -442.687288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.687288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.928707 (E_RNA)
where:
Base-Base interactions energy: -304.659
where: short stacking energy: -122.354
Base-Backbone interact. energy: -0.724
local terms energy: -138.545765
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -29.782
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -458.014040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.014040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.721520 (E_RNA)
where:
Base-Base interactions energy: -317.313
where: short stacking energy: -122.702
Base-Backbone interact. energy: 0.078
local terms energy: -141.487184
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -34.670
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: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -412.304395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.304395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.022230 (E_RNA)
where:
Base-Base interactions energy: -285.020
where: short stacking energy: -103.987
Base-Backbone interact. energy: 0.338
local terms energy: -128.340466
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -28.142
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: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -546.671264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.671264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.009599 (E_RNA)
where:
Base-Base interactions energy: -377.473
where: short stacking energy: -140.628
Base-Backbone interact. energy: -1.394
local terms energy: -168.142651
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -39.934
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: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -528.003572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.003572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.559871 (E_RNA)
where:
Base-Base interactions energy: -383.204
where: short stacking energy: -151.447
Base-Backbone interact. energy: 2.229
local terms energy: -147.585172
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -38.969
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -516.544799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.544799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.147271 (E_RNA)
where:
Base-Base interactions energy: -354.832
where: short stacking energy: -140.539
Base-Backbone interact. energy: -1.459
local terms energy: -160.855844
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -36.556
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -502.376462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.376462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.638808 (E_RNA)
where:
Base-Base interactions energy: -333.830
where: short stacking energy: -130.134
Base-Backbone interact. energy: -0.603
local terms energy: -168.206345
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -35.151
flat angles C4'-P-C4' energy: -38.925
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -40.974
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: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -507.139935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.139935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.262196 (E_RNA)
where:
Base-Base interactions energy: -345.694
where: short stacking energy: -144.589
Base-Backbone interact. energy: 0.357
local terms energy: -161.925000
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -40.545
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: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -488.887346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.887346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.056836 (E_RNA)
where:
Base-Base interactions energy: -342.126
where: short stacking energy: -129.230
Base-Backbone interact. energy: 0.998
local terms energy: -147.928327
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -41.628
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: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -474.131096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.131096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.536292 (E_RNA)
where:
Base-Base interactions energy: -320.941
where: short stacking energy: -135.802
Base-Backbone interact. energy: -0.839
local terms energy: -152.756532
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -34.342
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: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -474.010782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.010782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.314930 (E_RNA)
where:
Base-Base interactions energy: -311.956
where: short stacking energy: -127.955
Base-Backbone interact. energy: 0.737
local terms energy: -163.095959
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -36.630
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -31.683
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: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -459.903168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.903168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.493755 (E_RNA)
where:
Base-Base interactions energy: -310.809
where: short stacking energy: -121.982
Base-Backbone interact. energy: -0.126
local terms energy: -149.559265
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -35.941
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: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -428.682791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.682791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.991522 (E_RNA)
where:
Base-Base interactions energy: -295.445
where: short stacking energy: -116.708
Base-Backbone interact. energy: -1.192
local terms energy: -138.353964
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 6.309 (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: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -545.070761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.070761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.254651 (E_RNA)
where:
Base-Base interactions energy: -369.437
where: short stacking energy: -141.118
Base-Backbone interact. energy: -0.737
local terms energy: -175.080608
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -540.196965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.196965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.535179 (E_RNA)
where:
Base-Base interactions energy: -364.222
where: short stacking energy: -149.884
Base-Backbone interact. energy: -0.860
local terms energy: -175.453761
where:
bonds (distance) C4'-P energy: -38.189
bonds (distance) P-C4' energy: -37.026
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -39.440
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -529.457292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.457292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.684129 (E_RNA)
where:
Base-Base interactions energy: -367.088
where: short stacking energy: -156.102
Base-Backbone interact. energy: -0.948
local terms energy: -161.648262
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -44.167
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -512.054454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.054454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.151851 (E_RNA)
where:
Base-Base interactions energy: -358.806
where: short stacking energy: -149.027
Base-Backbone interact. energy: -0.693
local terms energy: -152.652484
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -43.880
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -494.321065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.321065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.287671 (E_RNA)
where:
Base-Base interactions energy: -346.743
where: short stacking energy: -137.662
Base-Backbone interact. energy: -0.282
local terms energy: -149.262690
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -38.823
Dist. restrs. and SS energy: 1.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -498.431749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.431749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.761481 (E_RNA)
where:
Base-Base interactions energy: -333.371
where: short stacking energy: -127.516
Base-Backbone interact. energy: -0.868
local terms energy: -164.522761
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -40.693
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: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -470.924568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.924568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.430830 (E_RNA)
where:
Base-Base interactions energy: -322.232
where: short stacking energy: -126.215
Base-Backbone interact. energy: -1.120
local terms energy: -148.079322
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -32.893
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -456.919887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.919887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.201949 (E_RNA)
where:
Base-Base interactions energy: -322.773
where: short stacking energy: -126.585
Base-Backbone interact. energy: 4.361
local terms energy: -139.790197
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -33.119
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -461.998130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.998130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.990164 (E_RNA)
where:
Base-Base interactions energy: -321.403
where: short stacking energy: -132.512
Base-Backbone interact. energy: 0.077
local terms energy: -141.663827
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -34.349
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -443.378244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.378244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.585436 (E_RNA)
where:
Base-Base interactions energy: -318.118
where: short stacking energy: -118.411
Base-Backbone interact. energy: -0.675
local terms energy: -125.792435
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -34.713
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -545.048484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.048484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.264915 (E_RNA)
where:
Base-Base interactions energy: -381.974
where: short stacking energy: -150.169
Base-Backbone interact. energy: 0.232
local terms energy: -163.523757
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -40.506
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -551.123824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.123824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.250222 (E_RNA)
where:
Base-Base interactions energy: -378.032
where: short stacking energy: -156.675
Base-Backbone interact. energy: 0.528
local terms energy: -173.746545
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -41.695
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: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -519.250252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.250252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.349918 (E_RNA)
where:
Base-Base interactions energy: -355.776
where: short stacking energy: -142.759
Base-Backbone interact. energy: 1.836
local terms energy: -165.410146
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -40.158
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: 53
Temperature: 1.050000
Total energy: -498.239011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.239011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.230350 (E_RNA)
where:
Base-Base interactions energy: -330.934
where: short stacking energy: -129.164
Base-Backbone interact. energy: 1.341
local terms energy: -169.637370
where:
bonds (distance) C4'-P energy: -34.313
bonds (distance) P-C4' energy: -32.797
flat angles C4'-P-C4' energy: -36.170
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -42.874
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -496.664001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.664001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.197822 (E_RNA)
where:
Base-Base interactions energy: -342.441
where: short stacking energy: -120.401
Base-Backbone interact. energy: -1.856
local terms energy: -152.900649
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -30.365
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: 53
Temperature: 1.150000
Total energy: -506.047413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.047413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.544638 (E_RNA)
where:
Base-Base interactions energy: -348.539
where: short stacking energy: -146.005
Base-Backbone interact. energy: -0.102
local terms energy: -157.904066
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -38.238
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: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -477.797378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.797378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.302733 (E_RNA)
where:
Base-Base interactions energy: -323.677
where: short stacking energy: -130.510
Base-Backbone interact. energy: -0.993
local terms energy: -153.632418
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -40.242
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -31.919
Dist. restrs. and SS energy: 0.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -459.229156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.229156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.626350 (E_RNA)
where:
Base-Base interactions energy: -318.097
where: short stacking energy: -126.960
Base-Backbone interact. energy: 1.029
local terms energy: -142.557870
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -35.721
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: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -442.144553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.144553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.944798 (E_RNA)
where:
Base-Base interactions energy: -309.462
where: short stacking energy: -113.806
Base-Backbone interact. energy: -0.632
local terms energy: -133.850197
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -438.689727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.689727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.419890 (E_RNA)
where:
Base-Base interactions energy: -301.444
where: short stacking energy: -115.425
Base-Backbone interact. energy: -0.165
local terms energy: -137.810359
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -33.792
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: 54
Temperature: 0.900000
Total energy: -552.478480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.478480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.588597 (E_RNA)
where:
Base-Base interactions energy: -388.021
where: short stacking energy: -161.341
Base-Backbone interact. energy: -0.941
local terms energy: -163.626326
where:
bonds (distance) C4'-P energy: -32.982
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -542.498353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.498353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.115366 (E_RNA)
where:
Base-Base interactions energy: -370.406
where: short stacking energy: -147.196
Base-Backbone interact. energy: -1.882
local terms energy: -170.828304
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -30.030
tors. eta vs tors. theta energy: -44.003
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: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -533.021119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.021119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.384537 (E_RNA)
where:
Base-Base interactions energy: -372.793
where: short stacking energy: -145.878
Base-Backbone interact. energy: -1.357
local terms energy: -159.233974
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -35.988
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -36.564
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -524.036663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.036663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.573295 (E_RNA)
where:
Base-Base interactions energy: -357.261
where: short stacking energy: -148.187
Base-Backbone interact. energy: -0.382
local terms energy: -167.930611
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -29.001
tors. eta vs tors. theta energy: -42.499
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -508.905287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.905287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.063758 (E_RNA)
where:
Base-Base interactions energy: -353.982
where: short stacking energy: -140.463
Base-Backbone interact. energy: -0.300
local terms energy: -154.782091
where:
bonds (distance) C4'-P energy: -28.042
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -39.871
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -488.288663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.288663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.756231 (E_RNA)
where:
Base-Base interactions energy: -349.028
where: short stacking energy: -140.194
Base-Backbone interact. energy: 1.028
local terms energy: -140.756308
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -27.484
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -39.715
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -465.392149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.392149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.044859 (E_RNA)
where:
Base-Base interactions energy: -323.888
where: short stacking energy: -138.654
Base-Backbone interact. energy: -0.791
local terms energy: -141.366479
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -35.237
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: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -466.724002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.724002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.273211 (E_RNA)
where:
Base-Base interactions energy: -323.387
where: short stacking energy: -119.748
Base-Backbone interact. energy: -0.315
local terms energy: -144.570692
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 1.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -438.393911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.550924 (E_RNA)
where:
Base-Base interactions energy: -308.401
where: short stacking energy: -125.746
Base-Backbone interact. energy: 1.284
local terms energy: -132.433489
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -443.629236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.629236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.910954 (E_RNA)
where:
Base-Base interactions energy: -308.682
where: short stacking energy: -121.142
Base-Backbone interact. energy: 0.369
local terms energy: -135.598040
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -29.880
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: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -551.513969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.513969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.010839 (E_RNA)
where:
Base-Base interactions energy: -382.016
where: short stacking energy: -154.203
Base-Backbone interact. energy: -1.341
local terms energy: -168.654727
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -25.286
tors. eta vs tors. theta energy: -44.429
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -530.612368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.612368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.313976 (E_RNA)
where:
Base-Base interactions energy: -363.421
where: short stacking energy: -150.790
Base-Backbone interact. energy: 0.258
local terms energy: -168.150510
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -37.652
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -538.519593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.519593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.921383 (E_RNA)
where:
Base-Base interactions energy: -370.398
where: short stacking energy: -150.842
Base-Backbone interact. energy: -0.693
local terms energy: -167.831105
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -44.643
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -520.966696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.966696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.494541 (E_RNA)
where:
Base-Base interactions energy: -361.020
where: short stacking energy: -141.784
Base-Backbone interact. energy: -0.455
local terms energy: -160.020099
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -37.216
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -505.474786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.474786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.236727 (E_RNA)
where:
Base-Base interactions energy: -353.603
where: short stacking energy: -142.722
Base-Backbone interact. energy: -0.632
local terms energy: -152.001194
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -42.728
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: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -484.983300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.983300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.261192 (E_RNA)
where:
Base-Base interactions energy: -337.791
where: short stacking energy: -127.487
Base-Backbone interact. energy: -0.003
local terms energy: -147.467320
where:
bonds (distance) C4'-P energy: -34.986
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -37.523
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: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -477.856726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.856726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.751615 (E_RNA)
where:
Base-Base interactions energy: -324.973
where: short stacking energy: -126.158
Base-Backbone interact. energy: -0.345
local terms energy: -153.432992
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -449.744896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.744896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.240271 (E_RNA)
where:
Base-Base interactions energy: -322.919
where: short stacking energy: -121.578
Base-Backbone interact. energy: -0.342
local terms energy: -126.978968
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -30.282
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: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -466.174774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.174774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.417725 (E_RNA)
where:
Base-Base interactions energy: -315.985
where: short stacking energy: -128.924
Base-Backbone interact. energy: -0.773
local terms energy: -149.659983
where:
bonds (distance) C4'-P energy: -32.923
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -34.001
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: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -414.869187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.869187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.555271 (E_RNA)
where:
Base-Base interactions energy: -285.796
where: short stacking energy: -113.597
Base-Backbone interact. energy: -0.411
local terms energy: -129.348266
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -23.958
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: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -554.994145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.994145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.498408 (E_RNA)
where:
Base-Base interactions energy: -376.161
where: short stacking energy: -156.091
Base-Backbone interact. energy: -0.894
local terms energy: -178.443747
where:
bonds (distance) C4'-P energy: -32.835
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -46.869
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: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -532.239738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.239738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.531429 (E_RNA)
where:
Base-Base interactions energy: -372.858
where: short stacking energy: -154.063
Base-Backbone interact. energy: -0.243
local terms energy: -159.430624
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -38.076
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -529.270584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.270584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.335393 (E_RNA)
where:
Base-Base interactions energy: -369.785
where: short stacking energy: -146.701
Base-Backbone interact. energy: -3.740
local terms energy: -155.810434
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -43.040
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -522.210388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.210388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.661046 (E_RNA)
where:
Base-Base interactions energy: -356.457
where: short stacking energy: -136.661
Base-Backbone interact. energy: -1.338
local terms energy: -164.866887
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -43.326
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: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -487.322581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.322581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.890504 (E_RNA)
where:
Base-Base interactions energy: -337.400
where: short stacking energy: -140.735
Base-Backbone interact. energy: -0.087
local terms energy: -151.403453
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -44.831
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -487.854408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.854408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.666801 (E_RNA)
where:
Base-Base interactions energy: -338.480
where: short stacking energy: -139.262
Base-Backbone interact. energy: -0.949
local terms energy: -149.237445
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -42.856
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -474.313757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.313757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.951739 (E_RNA)
where:
Base-Base interactions energy: -324.929
where: short stacking energy: -129.918
Base-Backbone interact. energy: -0.009
local terms energy: -150.013135
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -35.024
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: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -462.445552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.445552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.396124 (E_RNA)
where:
Base-Base interactions energy: -314.728
where: short stacking energy: -125.787
Base-Backbone interact. energy: -0.846
local terms energy: -147.822101
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -443.067818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.067818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.084800 (E_RNA)
where:
Base-Base interactions energy: -313.034
where: short stacking energy: -133.896
Base-Backbone interact. energy: -0.836
local terms energy: -131.215081
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -32.147
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -435.684594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.684594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.372519 (E_RNA)
where:
Base-Base interactions energy: -304.639
where: short stacking energy: -115.174
Base-Backbone interact. energy: -1.340
local terms energy: -130.393952
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -35.347
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: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -561.773751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.773751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.084019 (E_RNA)
where:
Base-Base interactions energy: -393.370
where: short stacking energy: -162.934
Base-Backbone interact. energy: -1.949
local terms energy: -166.765391
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -36.129
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -43.313
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -539.320883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.320883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.406783 (E_RNA)
where:
Base-Base interactions energy: -369.765
where: short stacking energy: -160.016
Base-Backbone interact. energy: -1.352
local terms energy: -168.289703
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -46.290
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: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -538.639539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.639539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.789111 (E_RNA)
where:
Base-Base interactions energy: -358.204
where: short stacking energy: -160.911
Base-Backbone interact. energy: -0.236
local terms energy: -180.348946
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -38.984
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -43.003
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -523.437923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.437923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.776087 (E_RNA)
where:
Base-Base interactions energy: -357.560
where: short stacking energy: -138.583
Base-Backbone interact. energy: -0.754
local terms energy: -165.461998
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -44.214
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -500.294026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.294026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.500460 (E_RNA)
where:
Base-Base interactions energy: -345.906
where: short stacking energy: -137.472
Base-Backbone interact. energy: -0.504
local terms energy: -154.090249
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -39.097
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -492.727980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.727980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.369411 (E_RNA)
where:
Base-Base interactions energy: -340.407
where: short stacking energy: -138.588
Base-Backbone interact. energy: 0.211
local terms energy: -153.173985
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -42.447
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -474.761983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.012488 (E_RNA)
where:
Base-Base interactions energy: -331.308
where: short stacking energy: -134.580
Base-Backbone interact. energy: -0.687
local terms energy: -143.017363
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -32.200
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -35.709
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -460.121401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.121401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.869925 (E_RNA)
where:
Base-Base interactions energy: -318.600
where: short stacking energy: -125.900
Base-Backbone interact. energy: 2.363
local terms energy: -144.633752
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -38.993
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -415.545353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.545353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.079306 (E_RNA)
where:
Base-Base interactions energy: -288.497
where: short stacking energy: -116.123
Base-Backbone interact. energy: -0.879
local terms energy: -126.703439
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -26.031
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: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -423.545407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.545407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.835379 (E_RNA)
where:
Base-Base interactions energy: -283.498
where: short stacking energy: -110.490
Base-Backbone interact. energy: -0.669
local terms energy: -141.668041
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -32.813
Dist. restrs. and SS energy: 2.290 (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: 58
Temperature: 0.900000
Total energy: -559.754273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.754273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.090403 (E_RNA)
where:
Base-Base interactions energy: -391.826
where: short stacking energy: -156.515
Base-Backbone interact. energy: -2.272
local terms energy: -165.992603
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -44.233
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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -542.836411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.836411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.066100 (E_RNA)
where:
Base-Base interactions energy: -381.178
where: short stacking energy: -159.256
Base-Backbone interact. energy: 1.708
local terms energy: -163.595750
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -45.182
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -544.670801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.670801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.867020 (E_RNA)
where:
Base-Base interactions energy: -364.591
where: short stacking energy: -148.800
Base-Backbone interact. energy: -0.727
local terms energy: -179.548839
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -521.794579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.794579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.445256 (E_RNA)
where:
Base-Base interactions energy: -360.345
where: short stacking energy: -144.997
Base-Backbone interact. energy: 0.232
local terms energy: -162.332355
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -34.978
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -38.685
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: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -501.160433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.160433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.604912 (E_RNA)
where:
Base-Base interactions energy: -346.160
where: short stacking energy: -144.241
Base-Backbone interact. energy: 2.002
local terms energy: -157.446125
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -31.159
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -39.735
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -493.412990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.412990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.676820 (E_RNA)
where:
Base-Base interactions energy: -338.211
where: short stacking energy: -131.283
Base-Backbone interact. energy: 0.485
local terms energy: -155.950254
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -40.661
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: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -488.140806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.140806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.703502 (E_RNA)
where:
Base-Base interactions energy: -348.410
where: short stacking energy: -134.215
Base-Backbone interact. energy: -1.041
local terms energy: -139.252973
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -35.152
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -486.340714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.340714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.370980 (E_RNA)
where:
Base-Base interactions energy: -335.726
where: short stacking energy: -132.747
Base-Backbone interact. energy: 2.887
local terms energy: -153.531183
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -468.113194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.113194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.956206 (E_RNA)
where:
Base-Base interactions energy: -329.679
where: short stacking energy: -131.177
Base-Backbone interact. energy: -0.316
local terms energy: -138.960480
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: -34.529
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -411.808421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.808421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.058307 (E_RNA)
where:
Base-Base interactions energy: -300.964
where: short stacking energy: -100.361
Base-Backbone interact. energy: -0.012
local terms energy: -111.081865
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -22.708
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: 59
Temperature: 0.900000
Total energy: -554.034679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.034679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.418269 (E_RNA)
where:
Base-Base interactions energy: -377.641
where: short stacking energy: -161.038
Base-Backbone interact. energy: -0.287
local terms energy: -176.490984
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -46.373
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -545.221743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.221743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.464177 (E_RNA)
where:
Base-Base interactions energy: -369.652
where: short stacking energy: -149.316
Base-Backbone interact. energy: 0.332
local terms energy: -176.144863
where:
bonds (distance) C4'-P energy: -37.412
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -45.449
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: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -527.990240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.990240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.452636 (E_RNA)
where:
Base-Base interactions energy: -375.423
where: short stacking energy: -145.883
Base-Backbone interact. energy: -0.361
local terms energy: -152.668954
where:
bonds (distance) C4'-P energy: -28.513
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -39.876
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: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -528.958477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.958477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.389560 (E_RNA)
where:
Base-Base interactions energy: -380.214
where: short stacking energy: -158.780
Base-Backbone interact. energy: 0.564
local terms energy: -149.739079
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -40.659
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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -494.396018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.396018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.702805 (E_RNA)
where:
Base-Base interactions energy: -337.333
where: short stacking energy: -139.099
Base-Backbone interact. energy: -1.084
local terms energy: -156.285605
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -38.592
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: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -500.927028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.927028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.142861 (E_RNA)
where:
Base-Base interactions energy: -357.017
where: short stacking energy: -145.067
Base-Backbone interact. energy: -0.328
local terms energy: -143.798216
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -42.152
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: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -477.564331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.564331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.891522 (E_RNA)
where:
Base-Base interactions energy: -339.703
where: short stacking energy: -135.789
Base-Backbone interact. energy: -0.941
local terms energy: -137.248181
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -43.767
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: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -462.836429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.836429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.300879 (E_RNA)
where:
Base-Base interactions energy: -324.527
where: short stacking energy: -122.677
Base-Backbone interact. energy: -0.491
local terms energy: -138.282389
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -44.071
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: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -440.005629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.080941 (E_RNA)
where:
Base-Base interactions energy: -319.689
where: short stacking energy: -123.731
Base-Backbone interact. energy: -0.382
local terms energy: -122.009969
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -424.614939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.614939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.810090 (E_RNA)
where:
Base-Base interactions energy: -292.466
where: short stacking energy: -109.254
Base-Backbone interact. energy: -2.056
local terms energy: -130.287901
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -29.221
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: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -546.107373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.107373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.414059 (E_RNA)
where:
Base-Base interactions energy: -375.938
where: short stacking energy: -148.449
Base-Backbone interact. energy: 2.155
local terms energy: -172.630794
where:
bonds (distance) C4'-P energy: -38.748
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -42.857
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -545.815923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.815923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.009302 (E_RNA)
where:
Base-Base interactions energy: -364.539
where: short stacking energy: -156.367
Base-Backbone interact. energy: -0.669
local terms energy: -180.800816
where:
bonds (distance) C4'-P energy: -34.345
bonds (distance) P-C4' energy: -39.647
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -46.586
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: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -549.959827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.959827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.539921 (E_RNA)
where:
Base-Base interactions energy: -386.841
where: short stacking energy: -145.473
Base-Backbone interact. energy: -0.622
local terms energy: -163.076737
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -37.270
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: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -516.546931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.546931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.337849 (E_RNA)
where:
Base-Base interactions energy: -348.882
where: short stacking energy: -148.946
Base-Backbone interact. energy: -1.496
local terms energy: -166.960181
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -37.748
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -41.429
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -497.224105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.224105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.139054 (E_RNA)
where:
Base-Base interactions energy: -361.788
where: short stacking energy: -142.592
Base-Backbone interact. energy: -0.931
local terms energy: -135.420191
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -487.481567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.561779 (E_RNA)
where:
Base-Base interactions energy: -333.184
where: short stacking energy: -121.930
Base-Backbone interact. energy: -0.417
local terms energy: -153.961717
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -32.210
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: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -478.357130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.357130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.843249 (E_RNA)
where:
Base-Base interactions energy: -345.670
where: short stacking energy: -143.162
Base-Backbone interact. energy: 3.098
local terms energy: -136.270932
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -41.936
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: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -471.511539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.511539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.284500 (E_RNA)
where:
Base-Base interactions energy: -344.289
where: short stacking energy: -132.187
Base-Backbone interact. energy: -0.530
local terms energy: -127.465357
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -37.094
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: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -428.933052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.933052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.567027 (E_RNA)
where:
Base-Base interactions energy: -294.477
where: short stacking energy: -103.565
Base-Backbone interact. energy: -0.460
local terms energy: -134.629433
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -34.346
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -440.341472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.341472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.814520 (E_RNA)
where:
Base-Base interactions energy: -311.080
where: short stacking energy: -116.253
Base-Backbone interact. energy: -0.518
local terms energy: -131.216601
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -29.196
Dist. restrs. and SS energy: 2.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -558.404249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.404249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.605122 (E_RNA)
where:
Base-Base interactions energy: -377.575
where: short stacking energy: -149.388
Base-Backbone interact. energy: -0.119
local terms energy: -180.910766
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -49.217
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -555.171494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.171494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.364461 (E_RNA)
where:
Base-Base interactions energy: -377.590
where: short stacking energy: -148.115
Base-Backbone interact. energy: -0.410
local terms energy: -177.364159
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -40.169
flat angles C4'-P-C4' energy: -38.324
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -37.507
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: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -529.360820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.360820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.872087 (E_RNA)
where:
Base-Base interactions energy: -357.628
where: short stacking energy: -157.116
Base-Backbone interact. energy: -1.517
local terms energy: -170.727367
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -43.522
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: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -519.683199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.683199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.169821 (E_RNA)
where:
Base-Base interactions energy: -362.506
where: short stacking energy: -145.314
Base-Backbone interact. energy: -0.754
local terms energy: -156.909734
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -44.690
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: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -506.655635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.398680 (E_RNA)
where:
Base-Base interactions energy: -354.395
where: short stacking energy: -143.692
Base-Backbone interact. energy: -0.654
local terms energy: -152.349962
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -38.179
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -500.832379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.832379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.424017 (E_RNA)
where:
Base-Base interactions energy: -358.482
where: short stacking energy: -141.594
Base-Backbone interact. energy: -0.221
local terms energy: -143.720944
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -33.285
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -38.028
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -449.598278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.598278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.886513 (E_RNA)
where:
Base-Base interactions energy: -303.043
where: short stacking energy: -121.012
Base-Backbone interact. energy: -0.623
local terms energy: -147.220753
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -451.061453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.061453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.017333 (E_RNA)
where:
Base-Base interactions energy: -311.103
where: short stacking energy: -125.293
Base-Backbone interact. energy: -0.876
local terms energy: -140.037909
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.956 (S_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: 61
Temperature: 1.300000
Total energy: -426.312939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.312939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.666044 (E_RNA)
where:
Base-Base interactions energy: -302.232
where: short stacking energy: -113.139
Base-Backbone interact. energy: -2.191
local terms energy: -122.242437
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -28.107
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: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -479.951025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.951025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.825702 (E_RNA)
where:
Base-Base interactions energy: -331.436
where: short stacking energy: -136.970
Base-Backbone interact. energy: -1.398
local terms energy: -147.991698
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -542.969498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.969498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.084849 (E_RNA)
where:
Base-Base interactions energy: -389.335
where: short stacking energy: -151.080
Base-Backbone interact. energy: -1.176
local terms energy: -152.573647
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -38.122
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -36.214
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -537.884841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.884841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.235107 (E_RNA)
where:
Base-Base interactions energy: -374.705
where: short stacking energy: -150.981
Base-Backbone interact. energy: -1.509
local terms energy: -162.021169
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -37.732
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: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -518.735659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.735659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.566267 (E_RNA)
where:
Base-Base interactions energy: -361.761
where: short stacking energy: -142.284
Base-Backbone interact. energy: -0.618
local terms energy: -157.187801
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -528.624346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.624346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.030613 (E_RNA)
where:
Base-Base interactions energy: -364.008
where: short stacking energy: -150.566
Base-Backbone interact. energy: -0.132
local terms energy: -164.891265
where:
bonds (distance) C4'-P energy: -35.729
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -35.077
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -40.162
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -505.191358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.191358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.697349 (E_RNA)
where:
Base-Base interactions energy: -350.936
where: short stacking energy: -140.049
Base-Backbone interact. energy: -1.211
local terms energy: -153.550616
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -40.810
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: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -502.985650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.985650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.763161 (E_RNA)
where:
Base-Base interactions energy: -345.452
where: short stacking energy: -141.449
Base-Backbone interact. energy: -0.687
local terms energy: -157.623339
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -39.926
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: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -473.520772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.520772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.891402 (E_RNA)
where:
Base-Base interactions energy: -328.273
where: short stacking energy: -124.720
Base-Backbone interact. energy: -0.915
local terms energy: -144.703553
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -33.763
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -464.559754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.559754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.607643 (E_RNA)
where:
Base-Base interactions energy: -326.039
where: short stacking energy: -129.219
Base-Backbone interact. energy: -0.011
local terms energy: -139.557282
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -31.533
Dist. restrs. and SS energy: 1.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -443.305858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.305858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.351639 (E_RNA)
where:
Base-Base interactions energy: -315.223
where: short stacking energy: -119.410
Base-Backbone interact. energy: -0.526
local terms energy: -128.602713
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -31.825
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: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -424.257753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.257753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.185688 (E_RNA)
where:
Base-Base interactions energy: -287.038
where: short stacking energy: -108.267
Base-Backbone interact. energy: 0.284
local terms energy: -138.431710
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -29.387
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -558.752195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.752195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.831206 (E_RNA)
where:
Base-Base interactions energy: -388.547
where: short stacking energy: -152.471
Base-Backbone interact. energy: -0.573
local terms energy: -169.711360
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -41.556
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: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -534.143153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.143153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.246118 (E_RNA)
where:
Base-Base interactions energy: -357.289
where: short stacking energy: -155.050
Base-Backbone interact. energy: -0.821
local terms energy: -176.136369
where:
bonds (distance) C4'-P energy: -36.752
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -45.337
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: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -529.369798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.369798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.700870 (E_RNA)
where:
Base-Base interactions energy: -362.282
where: short stacking energy: -143.667
Base-Backbone interact. energy: -1.644
local terms energy: -165.774749
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -39.662
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -507.649817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.649817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.818638 (E_RNA)
where:
Base-Base interactions energy: -343.812
where: short stacking energy: -142.802
Base-Backbone interact. energy: -1.380
local terms energy: -162.626477
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -42.067
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -498.857103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.857103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.912859 (E_RNA)
where:
Base-Base interactions energy: -342.280
where: short stacking energy: -145.305
Base-Backbone interact. energy: -0.262
local terms energy: -156.371100
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -41.518
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -486.369387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.369387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.854255 (E_RNA)
where:
Base-Base interactions energy: -332.047
where: short stacking energy: -125.100
Base-Backbone interact. energy: -1.708
local terms energy: -153.098975
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -34.912
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: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -464.694339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.694339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.993734 (E_RNA)
where:
Base-Base interactions energy: -321.999
where: short stacking energy: -132.956
Base-Backbone interact. energy: -0.765
local terms energy: -142.229926
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -38.331
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: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -476.078740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.078740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.721293 (E_RNA)
where:
Base-Base interactions energy: -328.138
where: short stacking energy: -118.329
Base-Backbone interact. energy: -0.290
local terms energy: -148.293333
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -32.759
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -462.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.233290 (E_RNA)
where:
Base-Base interactions energy: -327.001
where: short stacking energy: -122.784
Base-Backbone interact. energy: -0.682
local terms energy: -135.549898
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -33.342
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -432.459894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.459894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.119261 (E_RNA)
where:
Base-Base interactions energy: -300.983
where: short stacking energy: -120.482
Base-Backbone interact. energy: -1.111
local terms energy: -131.025523
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -32.234
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: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -557.908200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.908200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.102351 (E_RNA)
where:
Base-Base interactions energy: -386.370
where: short stacking energy: -157.106
Base-Backbone interact. energy: 0.375
local terms energy: -172.106958
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -42.350
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -544.396876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.396876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.658448 (E_RNA)
where:
Base-Base interactions energy: -374.565
where: short stacking energy: -156.161
Base-Backbone interact. energy: 0.781
local terms energy: -170.874324
where:
bonds (distance) C4'-P energy: -31.381
bonds (distance) P-C4' energy: -41.363
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -40.473
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: 64
Temperature: 1.000000
Total energy: -520.750145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.750145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.316982 (E_RNA)
where:
Base-Base interactions energy: -360.126
where: short stacking energy: -139.960
Base-Backbone interact. energy: 1.598
local terms energy: -162.789484
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -40.069
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: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -521.588593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.588593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.887322 (E_RNA)
where:
Base-Base interactions energy: -356.114
where: short stacking energy: -146.496
Base-Backbone interact. energy: 1.822
local terms energy: -167.595720
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -36.482
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -40.480
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: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -504.997172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.997172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.155325 (E_RNA)
where:
Base-Base interactions energy: -346.351
where: short stacking energy: -141.674
Base-Backbone interact. energy: -0.491
local terms energy: -158.313195
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -39.697
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -488.360218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.360218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.729398 (E_RNA)
where:
Base-Base interactions energy: -341.504
where: short stacking energy: -139.561
Base-Backbone interact. energy: -0.527
local terms energy: -146.698113
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -38.359
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -469.530716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.530716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.592586 (E_RNA)
where:
Base-Base interactions energy: -338.075
where: short stacking energy: -115.531
Base-Backbone interact. energy: 1.068
local terms energy: -133.585913
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -34.776
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 1.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -473.445937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.445937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.753257 (E_RNA)
where:
Base-Base interactions energy: -324.345
where: short stacking energy: -131.663
Base-Backbone interact. energy: 0.940
local terms energy: -150.348839
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -34.850
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -460.163922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.163922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.711012 (E_RNA)
where:
Base-Base interactions energy: -319.695
where: short stacking energy: -127.813
Base-Backbone interact. energy: -0.548
local terms energy: -140.467663
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -34.278
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: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -420.259421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.259421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.150812 (E_RNA)
where:
Base-Base interactions energy: -298.463
where: short stacking energy: -108.481
Base-Backbone interact. energy: -0.490
local terms energy: -122.197166
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -543.183141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.183141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.337959 (E_RNA)
where:
Base-Base interactions energy: -381.401
where: short stacking energy: -159.125
Base-Backbone interact. energy: 1.019
local terms energy: -162.955664
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -44.332
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: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -537.946370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.946370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.212549 (E_RNA)
where:
Base-Base interactions energy: -368.587
where: short stacking energy: -151.003
Base-Backbone interact. energy: -0.495
local terms energy: -170.130544
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -46.067
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: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -502.440656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.440656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.588883 (E_RNA)
where:
Base-Base interactions energy: -354.684
where: short stacking energy: -130.142
Base-Backbone interact. energy: -0.456
local terms energy: -147.448963
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -35.289
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: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -516.413869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.413869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.024970 (E_RNA)
where:
Base-Base interactions energy: -354.787
where: short stacking energy: -140.558
Base-Backbone interact. energy: -0.782
local terms energy: -161.456709
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -43.555
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: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -491.312283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.312283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.498659 (E_RNA)
where:
Base-Base interactions energy: -334.297
where: short stacking energy: -128.832
Base-Backbone interact. energy: -1.004
local terms energy: -156.197308
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -37.111
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: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -508.353219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.353219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.851691 (E_RNA)
where:
Base-Base interactions energy: -356.285
where: short stacking energy: -134.384
Base-Backbone interact. energy: -0.134
local terms energy: -152.432681
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -33.533
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: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -482.007971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.007971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.262389 (E_RNA)
where:
Base-Base interactions energy: -335.892
where: short stacking energy: -142.431
Base-Backbone interact. energy: -0.609
local terms energy: -145.761682
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -40.668
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: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -444.306306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.306306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.220277 (E_RNA)
where:
Base-Base interactions energy: -298.125
where: short stacking energy: -118.963
Base-Backbone interact. energy: -0.232
local terms energy: -146.863838
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -38.371
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -434.778696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.778696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.065599 (E_RNA)
where:
Base-Base interactions energy: -306.776
where: short stacking energy: -113.492
Base-Backbone interact. energy: -0.850
local terms energy: -127.439362
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -27.891
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: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -419.155870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.155870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.371222 (E_RNA)
where:
Base-Base interactions energy: -286.020
where: short stacking energy: -111.699
Base-Backbone interact. energy: -0.473
local terms energy: -133.878703
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -27.717
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -551.067918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.067918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.476557 (E_RNA)
where:
Base-Base interactions energy: -388.840
where: short stacking energy: -151.130
Base-Backbone interact. energy: 1.607
local terms energy: -164.243269
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -33.918
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -45.537
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: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -534.824100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.824100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.932965 (E_RNA)
where:
Base-Base interactions energy: -361.290
where: short stacking energy: -152.889
Base-Backbone interact. energy: -2.678
local terms energy: -170.965048
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -42.434
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -44.892
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -535.452343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.452343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.930457 (E_RNA)
where:
Base-Base interactions energy: -365.421
where: short stacking energy: -140.944
Base-Backbone interact. energy: -0.886
local terms energy: -169.623816
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -43.163
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: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -514.719136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.719136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.681197 (E_RNA)
where:
Base-Base interactions energy: -362.103
where: short stacking energy: -136.756
Base-Backbone interact. energy: -0.842
local terms energy: -152.736056
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -515.728643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.728643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.947921 (E_RNA)
where:
Base-Base interactions energy: -348.485
where: short stacking energy: -142.194
Base-Backbone interact. energy: -1.076
local terms energy: -166.387024
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -43.879
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: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -502.242276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.726508 (E_RNA)
where:
Base-Base interactions energy: -337.814
where: short stacking energy: -134.497
Base-Backbone interact. energy: -0.665
local terms energy: -164.248244
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -39.920
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -36.822
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -493.196497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.196497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.347030 (E_RNA)
where:
Base-Base interactions energy: -338.598
where: short stacking energy: -144.596
Base-Backbone interact. energy: -0.539
local terms energy: -155.209366
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -41.107
Dist. restrs. and SS energy: 1.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -472.854727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.854727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.236853 (E_RNA)
where:
Base-Base interactions energy: -324.661
where: short stacking energy: -120.140
Base-Backbone interact. energy: 0.450
local terms energy: -149.025991
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -35.833
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: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -436.601904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.601904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.289842 (E_RNA)
where:
Base-Base interactions energy: -309.482
where: short stacking energy: -112.642
Base-Backbone interact. energy: 0.156
local terms energy: -127.963269
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -33.299
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -427.366459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.366459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.522498 (E_RNA)
where:
Base-Base interactions energy: -305.808
where: short stacking energy: -112.853
Base-Backbone interact. energy: 0.279
local terms energy: -122.993282
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -26.992
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: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -554.129750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.129750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.415627 (E_RNA)
where:
Base-Base interactions energy: -379.169
where: short stacking energy: -151.795
Base-Backbone interact. energy: -0.895
local terms energy: -174.351214
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -37.840
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -43.895
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -532.640774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.640774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.117352 (E_RNA)
where:
Base-Base interactions energy: -370.281
where: short stacking energy: -158.149
Base-Backbone interact. energy: -0.798
local terms energy: -162.039221
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -45.670
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -529.280881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.280881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.132008 (E_RNA)
where:
Base-Base interactions energy: -366.232
where: short stacking energy: -144.796
Base-Backbone interact. energy: 1.248
local terms energy: -165.147847
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -45.434
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: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -507.726563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.726563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.871216 (E_RNA)
where:
Base-Base interactions energy: -348.451
where: short stacking energy: -147.722
Base-Backbone interact. energy: 3.769
local terms energy: -164.189386
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -37.374
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -44.488
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -489.237088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.237088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.682193 (E_RNA)
where:
Base-Base interactions energy: -332.176
where: short stacking energy: -127.126
Base-Backbone interact. energy: 2.158
local terms energy: -159.663573
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -37.910
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -35.906
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -492.669699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.669699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.824546 (E_RNA)
where:
Base-Base interactions energy: -352.559
where: short stacking energy: -138.125
Base-Backbone interact. energy: -0.131
local terms energy: -140.134027
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -32.916
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: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -483.872843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.872843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.347487 (E_RNA)
where:
Base-Base interactions energy: -332.573
where: short stacking energy: -130.400
Base-Backbone interact. energy: -0.897
local terms energy: -150.877741
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -36.695
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: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -477.155745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.155745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.771874 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -131.899
Base-Backbone interact. energy: -0.845
local terms energy: -150.125565
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -25.794
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -41.074
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -467.323040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.323040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.077576 (E_RNA)
where:
Base-Base interactions energy: -313.912
where: short stacking energy: -121.829
Base-Backbone interact. energy: -0.623
local terms energy: -153.542219
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -33.400
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: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -419.225265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.225265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.260082 (E_RNA)
where:
Base-Base interactions energy: -284.310
where: short stacking energy: -102.292
Base-Backbone interact. energy: -0.431
local terms energy: -135.518852
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -30.232
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -546.200156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.200156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.733867 (E_RNA)
where:
Base-Base interactions energy: -376.782
where: short stacking energy: -137.405
Base-Backbone interact. energy: -1.605
local terms energy: -168.346717
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -35.688
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: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -534.835101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.835101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.059140 (E_RNA)
where:
Base-Base interactions energy: -366.132
where: short stacking energy: -157.684
Base-Backbone interact. energy: -0.862
local terms energy: -168.064703
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -46.404
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -516.446641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.446641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.201194 (E_RNA)
where:
Base-Base interactions energy: -344.115
where: short stacking energy: -135.496
Base-Backbone interact. energy: -1.160
local terms energy: -171.926446
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -41.707
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: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -528.521840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.521840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.445930 (E_RNA)
where:
Base-Base interactions energy: -378.625
where: short stacking energy: -142.861
Base-Backbone interact. energy: -0.621
local terms energy: -150.200734
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -31.172
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -39.437
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -516.281904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.281904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.764552 (E_RNA)
where:
Base-Base interactions energy: -348.805
where: short stacking energy: -139.819
Base-Backbone interact. energy: 0.192
local terms energy: -168.150985
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -36.504
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -43.030
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -495.024797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.024797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.127043 (E_RNA)
where:
Base-Base interactions energy: -344.690
where: short stacking energy: -139.885
Base-Backbone interact. energy: 0.618
local terms energy: -151.054426
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -38.245
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -475.241501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.241501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.713147 (E_RNA)
where:
Base-Base interactions energy: -327.660
where: short stacking energy: -126.428
Base-Backbone interact. energy: -0.323
local terms energy: -147.730545
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -36.784
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -458.986418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.986418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.571997 (E_RNA)
where:
Base-Base interactions energy: -317.850
where: short stacking energy: -127.865
Base-Backbone interact. energy: -0.774
local terms energy: -141.947330
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -35.179
Dist. restrs. and SS energy: 1.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -431.699887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.699887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.804539 (E_RNA)
where:
Base-Base interactions energy: -303.180
where: short stacking energy: -112.944
Base-Backbone interact. energy: -0.681
local terms energy: -128.943058
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -34.976
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -442.021375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.021375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.763231 (E_RNA)
where:
Base-Base interactions energy: -315.149
where: short stacking energy: -116.087
Base-Backbone interact. energy: -0.838
local terms energy: -126.776055
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -31.809
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: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -553.211744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.211744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.651414 (E_RNA)
where:
Base-Base interactions energy: -379.808
where: short stacking energy: -145.820
Base-Backbone interact. energy: 0.698
local terms energy: -174.541993
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -47.091
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -532.884777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.884777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.995888 (E_RNA)
where:
Base-Base interactions energy: -367.338
where: short stacking energy: -161.829
Base-Backbone interact. energy: -1.701
local terms energy: -163.957409
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -42.751
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -529.285792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.285792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.117276 (E_RNA)
where:
Base-Base interactions energy: -354.369
where: short stacking energy: -156.075
Base-Backbone interact. energy: -0.418
local terms energy: -175.330035
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -44.718
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -510.444876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.444876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.356850 (E_RNA)
where:
Base-Base interactions energy: -351.159
where: short stacking energy: -136.076
Base-Backbone interact. energy: -0.240
local terms energy: -159.957578
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -37.175
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -502.120506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.120506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.304203 (E_RNA)
where:
Base-Base interactions energy: -345.736
where: short stacking energy: -137.251
Base-Backbone interact. energy: 0.624
local terms energy: -157.192237
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -33.621
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -39.745
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -499.836374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.836374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.217223 (E_RNA)
where:
Base-Base interactions energy: -341.396
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.565
local terms energy: -158.256691
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -34.406
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -42.424
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: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -478.941747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.941747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.201305 (E_RNA)
where:
Base-Base interactions energy: -339.610
where: short stacking energy: -138.140
Base-Backbone interact. energy: -0.385
local terms energy: -140.206185
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -42.465
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: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -474.472679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.472679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.778549 (E_RNA)
where:
Base-Base interactions energy: -323.966
where: short stacking energy: -128.331
Base-Backbone interact. energy: 0.239
local terms energy: -151.050706
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -40.694
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: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -438.281723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.281723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.708823 (E_RNA)
where:
Base-Base interactions energy: -309.771
where: short stacking energy: -111.662
Base-Backbone interact. energy: 0.094
local terms energy: -129.032028
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -26.053
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: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -433.182216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.182216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.158688 (E_RNA)
where:
Base-Base interactions energy: -296.254
where: short stacking energy: -109.203
Base-Backbone interact. energy: -0.667
local terms energy: -137.238077
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -37.684
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: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -542.035760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.357841 (E_RNA)
where:
Base-Base interactions energy: -370.267
where: short stacking energy: -134.046
Base-Backbone interact. energy: -0.106
local terms energy: -171.984743
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -40.225
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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -534.772493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.772493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.077099 (E_RNA)
where:
Base-Base interactions energy: -374.004
where: short stacking energy: -157.108
Base-Backbone interact. energy: -1.089
local terms energy: -159.984810
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -38.831
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: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -530.047247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.047247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.423882 (E_RNA)
where:
Base-Base interactions energy: -365.240
where: short stacking energy: -155.219
Base-Backbone interact. energy: 0.456
local terms energy: -165.640148
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -40.402
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -533.117432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.117432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.534346 (E_RNA)
where:
Base-Base interactions energy: -354.438
where: short stacking energy: -152.036
Base-Backbone interact. energy: -2.075
local terms energy: -177.021520
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -502.142193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.142193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.305100 (E_RNA)
where:
Base-Base interactions energy: -347.044
where: short stacking energy: -129.958
Base-Backbone interact. energy: -0.976
local terms energy: -154.285154
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -484.169957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.169957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.376618 (E_RNA)
where:
Base-Base interactions energy: -331.707
where: short stacking energy: -133.489
Base-Backbone interact. energy: 1.704
local terms energy: -154.373044
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -31.733
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: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -481.788617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.788617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.512797 (E_RNA)
where:
Base-Base interactions energy: -350.819
where: short stacking energy: -141.818
Base-Backbone interact. energy: -0.549
local terms energy: -131.143991
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -26.552
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -38.040
Dist. restrs. and SS energy: 0.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -480.315599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.315599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.085987 (E_RNA)
where:
Base-Base interactions energy: -314.605
where: short stacking energy: -123.699
Base-Backbone interact. energy: -0.823
local terms energy: -165.657996
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -35.971
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -35.290
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: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -441.448526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.448526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.008473 (E_RNA)
where:
Base-Base interactions energy: -309.703
where: short stacking energy: -125.976
Base-Backbone interact. energy: -0.553
local terms energy: -131.752646
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -29.004
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: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -419.324214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.324214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.673328 (E_RNA)
where:
Base-Base interactions energy: -288.883
where: short stacking energy: -99.030
Base-Backbone interact. energy: -0.217
local terms energy: -130.573999
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -25.882
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: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -548.576073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.576073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.788915 (E_RNA)
where:
Base-Base interactions energy: -377.979
where: short stacking energy: -149.843
Base-Backbone interact. energy: -0.727
local terms energy: -170.082951
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -40.103
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -538.228674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.228674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.195205 (E_RNA)
where:
Base-Base interactions energy: -374.196
where: short stacking energy: -151.222
Base-Backbone interact. energy: -0.980
local terms energy: -164.019409
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -49.295
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -523.750199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.750199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.185750 (E_RNA)
where:
Base-Base interactions energy: -378.495
where: short stacking energy: -160.607
Base-Backbone interact. energy: 1.283
local terms energy: -146.973690
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -39.691
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: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -503.024267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.024267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.290380 (E_RNA)
where:
Base-Base interactions energy: -351.272
where: short stacking energy: -139.432
Base-Backbone interact. energy: -0.888
local terms energy: -151.129840
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -39.624
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: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -486.133977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.133977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.235337 (E_RNA)
where:
Base-Base interactions energy: -337.334
where: short stacking energy: -130.040
Base-Backbone interact. energy: -1.062
local terms energy: -147.838978
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -39.349
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: 71
Temperature: 1.150000
Total energy: -466.948736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.948736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.428879 (E_RNA)
where:
Base-Base interactions energy: -329.635
where: short stacking energy: -132.033
Base-Backbone interact. energy: 0.440
local terms energy: -138.234393
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -37.463
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: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -470.792399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.792399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.305218 (E_RNA)
where:
Base-Base interactions energy: -325.500
where: short stacking energy: -120.148
Base-Backbone interact. energy: -1.575
local terms energy: -144.229836
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -33.866
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -449.093343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.093343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.974529 (E_RNA)
where:
Base-Base interactions energy: -311.528
where: short stacking energy: -123.469
Base-Backbone interact. energy: -0.623
local terms energy: -137.823481
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -441.033530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.033530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.126515 (E_RNA)
where:
Base-Base interactions energy: -317.869
where: short stacking energy: -131.433
Base-Backbone interact. energy: 0.292
local terms energy: -123.549907
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -29.055
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: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -413.727109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.727109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.830375 (E_RNA)
where:
Base-Base interactions energy: -299.908
where: short stacking energy: -113.428
Base-Backbone interact. energy: -0.659
local terms energy: -114.263626
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -25.960
Dist. restrs. and SS energy: 1.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -550.817576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.817576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.009257 (E_RNA)
where:
Base-Base interactions energy: -369.180
where: short stacking energy: -151.812
Base-Backbone interact. energy: -1.503
local terms energy: -180.326298
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -46.645
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -540.557331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.557331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.955334 (E_RNA)
where:
Base-Base interactions energy: -377.024
where: short stacking energy: -143.162
Base-Backbone interact. energy: -2.022
local terms energy: -161.909777
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -39.741
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: 72
Temperature: 1.000000
Total energy: -528.632480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.632480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.399569 (E_RNA)
where:
Base-Base interactions energy: -371.228
where: short stacking energy: -154.152
Base-Backbone interact. energy: -0.094
local terms energy: -158.078516
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -41.612
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: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -521.630286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.630286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.731770 (E_RNA)
where:
Base-Base interactions energy: -361.631
where: short stacking energy: -144.740
Base-Backbone interact. energy: -0.168
local terms energy: -159.932672
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -45.982
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: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -487.418831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.418831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.579941 (E_RNA)
where:
Base-Base interactions energy: -346.964
where: short stacking energy: -145.452
Base-Backbone interact. energy: 1.682
local terms energy: -142.297959
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -38.091
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -469.726978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.726978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.464329 (E_RNA)
where:
Base-Base interactions energy: -323.650
where: short stacking energy: -126.999
Base-Backbone interact. energy: -2.255
local terms energy: -144.559307
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -27.218
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -472.780447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.780447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.935817 (E_RNA)
where:
Base-Base interactions energy: -344.715
where: short stacking energy: -138.153
Base-Backbone interact. energy: -0.736
local terms energy: -127.484673
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -35.052
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: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -438.095844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.095844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.439088 (E_RNA)
where:
Base-Base interactions energy: -302.854
where: short stacking energy: -120.568
Base-Backbone interact. energy: 0.464
local terms energy: -136.049279
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -30.454
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -444.853592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.853592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.939327 (E_RNA)
where:
Base-Base interactions energy: -317.790
where: short stacking energy: -127.150
Base-Backbone interact. energy: -0.027
local terms energy: -127.121844
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -31.788
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -422.741646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.741646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.135508 (E_RNA)
where:
Base-Base interactions energy: -273.861
where: short stacking energy: -100.677
Base-Backbone interact. energy: -0.147
local terms energy: -150.127422
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -551.413456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.413456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.734232 (E_RNA)
where:
Base-Base interactions energy: -375.874
where: short stacking energy: -164.876
Base-Backbone interact. energy: -1.293
local terms energy: -174.566708
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -36.432
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -45.249
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -534.813845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.813845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.012518 (E_RNA)
where:
Base-Base interactions energy: -367.667
where: short stacking energy: -142.247
Base-Backbone interact. energy: 0.644
local terms energy: -167.989601
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -38.377
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -41.059
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: 73
Temperature: 1.000000
Total energy: -511.839669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.839669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.168606 (E_RNA)
where:
Base-Base interactions energy: -350.406
where: short stacking energy: -149.114
Base-Backbone interact. energy: -1.569
local terms energy: -160.193550
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -516.765425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.765425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.324492 (E_RNA)
where:
Base-Base interactions energy: -346.315
where: short stacking energy: -132.440
Base-Backbone interact. energy: -1.028
local terms energy: -169.982018
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -490.534694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.534694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.649457 (E_RNA)
where:
Base-Base interactions energy: -331.739
where: short stacking energy: -125.995
Base-Backbone interact. energy: -2.389
local terms energy: -157.520829
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -37.678
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -492.022820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.022820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.558311 (E_RNA)
where:
Base-Base interactions energy: -321.238
where: short stacking energy: -132.182
Base-Backbone interact. energy: -0.264
local terms energy: -171.055969
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -45.073
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: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -467.753128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.753128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.430243 (E_RNA)
where:
Base-Base interactions energy: -322.155
where: short stacking energy: -118.619
Base-Backbone interact. energy: -1.424
local terms energy: -144.851233
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -26.886
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: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -464.199094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.199094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.043412 (E_RNA)
where:
Base-Base interactions energy: -307.311
where: short stacking energy: -110.004
Base-Backbone interact. energy: -1.035
local terms energy: -156.697476
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -35.213
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -476.194959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.194959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.689005 (E_RNA)
where:
Base-Base interactions energy: -317.893
where: short stacking energy: -130.202
Base-Backbone interact. energy: -0.645
local terms energy: -158.151182
where:
bonds (distance) C4'-P energy: -33.052
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -36.488
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: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -386.120868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.120868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.807321 (E_RNA)
where:
Base-Base interactions energy: -271.154
where: short stacking energy: -97.706
Base-Backbone interact. energy: 1.841
local terms energy: -117.493475
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -21.247
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: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -545.891756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.891756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.356638 (E_RNA)
where:
Base-Base interactions energy: -372.249
where: short stacking energy: -147.299
Base-Backbone interact. energy: -2.542
local terms energy: -171.565169
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -34.326
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -45.532
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -520.589201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.589201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.052842 (E_RNA)
where:
Base-Base interactions energy: -360.889
where: short stacking energy: -149.771
Base-Backbone interact. energy: -2.279
local terms energy: -157.884961
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -35.781
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -36.847
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: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -530.656267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.656267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.985510 (E_RNA)
where:
Base-Base interactions energy: -354.664
where: short stacking energy: -148.247
Base-Backbone interact. energy: -0.502
local terms energy: -175.819740
where:
bonds (distance) C4'-P energy: -32.504
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -38.673
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -48.852
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: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -513.750891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.750891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.177642 (E_RNA)
where:
Base-Base interactions energy: -355.558
where: short stacking energy: -151.144
Base-Backbone interact. energy: 1.305
local terms energy: -159.924140
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -42.051
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: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -518.695224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.695224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.596226 (E_RNA)
where:
Base-Base interactions energy: -361.299
where: short stacking energy: -134.988
Base-Backbone interact. energy: -0.605
local terms energy: -157.692362
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -40.190
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -488.447920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.447920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.907656 (E_RNA)
where:
Base-Base interactions energy: -347.028
where: short stacking energy: -142.249
Base-Backbone interact. energy: 0.576
local terms energy: -142.455213
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -34.874
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: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -490.472084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.472084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.887387 (E_RNA)
where:
Base-Base interactions energy: -335.444
where: short stacking energy: -130.444
Base-Backbone interact. energy: 2.321
local terms energy: -157.764525
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -40.286
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: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -443.975761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.975761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.167886 (E_RNA)
where:
Base-Base interactions energy: -315.678
where: short stacking energy: -115.069
Base-Backbone interact. energy: -1.747
local terms energy: -127.742344
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -435.941308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.941308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.455409 (E_RNA)
where:
Base-Base interactions energy: -303.746
where: short stacking energy: -107.408
Base-Backbone interact. energy: 6.897
local terms energy: -139.605979
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -29.217
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: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -416.000319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.000319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.676463 (E_RNA)
where:
Base-Base interactions energy: -297.353
where: short stacking energy: -114.751
Base-Backbone interact. energy: -0.915
local terms energy: -123.407883
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -32.655
Dist. restrs. and SS energy: 5.676 (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: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -541.082015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.082015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.550710 (E_RNA)
where:
Base-Base interactions energy: -363.241
where: short stacking energy: -159.366
Base-Backbone interact. energy: -0.662
local terms energy: -177.647639
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -47.106
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: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -533.425108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.425108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.557457 (E_RNA)
where:
Base-Base interactions energy: -367.040
where: short stacking energy: -148.958
Base-Backbone interact. energy: -0.241
local terms energy: -166.275787
where:
bonds (distance) C4'-P energy: -32.290
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -43.039
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -533.983278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.983278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.851026 (E_RNA)
where:
Base-Base interactions energy: -374.048
where: short stacking energy: -138.647
Base-Backbone interact. energy: -1.070
local terms energy: -159.733750
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -38.268
Dist. restrs. and SS energy: 0.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -528.831408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.831408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.462124 (E_RNA)
where:
Base-Base interactions energy: -359.315
where: short stacking energy: -152.043
Base-Backbone interact. energy: 1.070
local terms energy: -171.216903
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -504.801472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.801472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.202185 (E_RNA)
where:
Base-Base interactions energy: -346.332
where: short stacking energy: -149.441
Base-Backbone interact. energy: 3.530
local terms energy: -162.400318
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -41.583
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -497.076689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.076689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.448531 (E_RNA)
where:
Base-Base interactions energy: -364.997
where: short stacking energy: -140.843
Base-Backbone interact. energy: -0.704
local terms energy: -131.747665
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -27.952
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -43.073
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: 75
Temperature: 1.200000
Total energy: -479.939256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.939256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.033323 (E_RNA)
where:
Base-Base interactions energy: -340.726
where: short stacking energy: -133.820
Base-Backbone interact. energy: 3.574
local terms energy: -143.881132
where:
bonds (distance) C4'-P energy: -30.930
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -39.306
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -446.482395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.482395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.842677 (E_RNA)
where:
Base-Base interactions energy: -316.586
where: short stacking energy: -119.925
Base-Backbone interact. energy: 1.295
local terms energy: -131.551915
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -31.547
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -29.280
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: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -434.405407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.405407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.604427 (E_RNA)
where:
Base-Base interactions energy: -285.523
where: short stacking energy: -106.752
Base-Backbone interact. energy: 0.193
local terms energy: -149.273678
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -33.672
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: 75
Temperature: 1.350000
Total energy: -433.736850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.736850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.436229 (E_RNA)
where:
Base-Base interactions energy: -307.310
where: short stacking energy: -113.028
Base-Backbone interact. energy: -0.554
local terms energy: -126.572202
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -25.104
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -539.806324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.806324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.208708 (E_RNA)
where:
Base-Base interactions energy: -367.316
where: short stacking energy: -156.011
Base-Backbone interact. energy: 0.286
local terms energy: -173.178925
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -545.393574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.393574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.983077 (E_RNA)
where:
Base-Base interactions energy: -369.729
where: short stacking energy: -157.390
Base-Backbone interact. energy: -0.842
local terms energy: -175.411504
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -517.723971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.723971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.103554 (E_RNA)
where:
Base-Base interactions energy: -357.092
where: short stacking energy: -142.454
Base-Backbone interact. energy: 0.129
local terms energy: -161.140665
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -42.989
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: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -529.269755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.269755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.862028 (E_RNA)
where:
Base-Base interactions energy: -369.395
where: short stacking energy: -127.424
Base-Backbone interact. energy: -1.442
local terms energy: -159.024649
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -38.069
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: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -511.623363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.623363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.814489 (E_RNA)
where:
Base-Base interactions energy: -347.309
where: short stacking energy: -151.003
Base-Backbone interact. energy: -2.458
local terms energy: -162.046948
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -45.265
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: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -485.619918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.619918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.670145 (E_RNA)
where:
Base-Base interactions energy: -337.685
where: short stacking energy: -138.262
Base-Backbone interact. energy: -0.517
local terms energy: -148.467460
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -39.426
Dist. restrs. and SS energy: 1.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -469.671114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.671114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.109285 (E_RNA)
where:
Base-Base interactions energy: -322.450
where: short stacking energy: -126.339
Base-Backbone interact. energy: 0.232
local terms energy: -148.891712
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -32.572
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -450.682804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.682804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.475706 (E_RNA)
where:
Base-Base interactions energy: -309.634
where: short stacking energy: -126.036
Base-Backbone interact. energy: -3.310
local terms energy: -138.531174
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -33.981
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -467.001856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.001856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.429473 (E_RNA)
where:
Base-Base interactions energy: -311.637
where: short stacking energy: -138.897
Base-Backbone interact. energy: 0.251
local terms energy: -156.042869
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -42.394
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: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -429.941463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.941463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.308918 (E_RNA)
where:
Base-Base interactions energy: -302.604
where: short stacking energy: -110.544
Base-Backbone interact. energy: -0.937
local terms energy: -130.767581
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -26.952
Dist. restrs. and SS energy: 4.367 (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: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -558.119304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.119304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.954106 (E_RNA)
where:
Base-Base interactions energy: -379.718
where: short stacking energy: -150.185
Base-Backbone interact. energy: -1.532
local terms energy: -177.703850
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -43.178
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -533.929886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.929886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.240921 (E_RNA)
where:
Base-Base interactions energy: -365.044
where: short stacking energy: -145.513
Base-Backbone interact. energy: -0.698
local terms energy: -168.498698
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: -41.454
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -539.266978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.266978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.627276 (E_RNA)
where:
Base-Base interactions energy: -372.417
where: short stacking energy: -150.509
Base-Backbone interact. energy: -1.767
local terms energy: -165.444004
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -47.485
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: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -508.960672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.960672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.641674 (E_RNA)
where:
Base-Base interactions energy: -360.634
where: short stacking energy: -144.349
Base-Backbone interact. energy: -0.400
local terms energy: -148.607352
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -37.795
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -512.242314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.242314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.740305 (E_RNA)
where:
Base-Base interactions energy: -365.159
where: short stacking energy: -135.202
Base-Backbone interact. energy: -0.379
local terms energy: -147.201726
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -35.469
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: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -464.785194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.785194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.413704 (E_RNA)
where:
Base-Base interactions energy: -321.029
where: short stacking energy: -119.767
Base-Backbone interact. energy: -0.383
local terms energy: -144.001692
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -32.694
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: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -474.790855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.790855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.128747 (E_RNA)
where:
Base-Base interactions energy: -333.716
where: short stacking energy: -142.186
Base-Backbone interact. energy: -0.985
local terms energy: -140.426794
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -38.807
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: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -431.879286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.879286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.160205 (E_RNA)
where:
Base-Base interactions energy: -298.630
where: short stacking energy: -110.653
Base-Backbone interact. energy: 0.690
local terms energy: -134.220407
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -31.140
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: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -445.529306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.529306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.256276 (E_RNA)
where:
Base-Base interactions energy: -311.823
where: short stacking energy: -119.081
Base-Backbone interact. energy: -1.060
local terms energy: -133.373324
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -32.270
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -453.400026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.400026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.537034 (E_RNA)
where:
Base-Base interactions energy: -315.047
where: short stacking energy: -114.496
Base-Backbone interact. energy: -0.241
local terms energy: -139.248798
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -37.125
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -531.558591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.558591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.373657 (E_RNA)
where:
Base-Base interactions energy: -362.214
where: short stacking energy: -143.738
Base-Backbone interact. energy: -0.074
local terms energy: -170.085025
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -40.643
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -45.597
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: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -546.121225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.121225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.544845 (E_RNA)
where:
Base-Base interactions energy: -369.702
where: short stacking energy: -157.223
Base-Backbone interact. energy: -0.676
local terms energy: -176.167179
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -45.476
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: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -516.963323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.963323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.292629 (E_RNA)
where:
Base-Base interactions energy: -351.114
where: short stacking energy: -143.517
Base-Backbone interact. energy: -1.375
local terms energy: -164.803809
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -37.294
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -504.991668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.991668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.457788 (E_RNA)
where:
Base-Base interactions energy: -348.453
where: short stacking energy: -144.485
Base-Backbone interact. energy: -0.282
local terms energy: -156.723168
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -38.841
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: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -494.223049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.223049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.594994 (E_RNA)
where:
Base-Base interactions energy: -345.511
where: short stacking energy: -140.043
Base-Backbone interact. energy: -0.580
local terms energy: -148.503363
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -35.359
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: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -475.163162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.163162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.776448 (E_RNA)
where:
Base-Base interactions energy: -325.770
where: short stacking energy: -126.728
Base-Backbone interact. energy: -0.728
local terms energy: -149.278028
where:
bonds (distance) C4'-P energy: -34.938
bonds (distance) P-C4' energy: -37.089
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -31.099
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: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -478.890837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.890837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.162134 (E_RNA)
where:
Base-Base interactions energy: -321.082
where: short stacking energy: -122.853
Base-Backbone interact. energy: -0.336
local terms energy: -157.744414
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -37.888
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: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -445.527734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.527734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.953385 (E_RNA)
where:
Base-Base interactions energy: -313.942
where: short stacking energy: -117.944
Base-Backbone interact. energy: -1.557
local terms energy: -134.454382
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -28.994
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -420.935378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.935378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.079391 (E_RNA)
where:
Base-Base interactions energy: -297.478
where: short stacking energy: -105.899
Base-Backbone interact. energy: -1.265
local terms energy: -123.337113
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -22.602
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: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -411.124650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.124650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.215949 (E_RNA)
where:
Base-Base interactions energy: -277.883
where: short stacking energy: -110.880
Base-Backbone interact. energy: -1.025
local terms energy: -132.307771
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -32.585
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: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -557.117370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.117370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.751463 (E_RNA)
where:
Base-Base interactions energy: -376.001
where: short stacking energy: -159.146
Base-Backbone interact. energy: -0.669
local terms energy: -181.081566
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -45.955
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -534.998838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.998838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.768249 (E_RNA)
where:
Base-Base interactions energy: -359.412
where: short stacking energy: -152.748
Base-Backbone interact. energy: -2.341
local terms energy: -174.014714
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -35.606
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -41.251
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: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -521.847924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.847924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.079532 (E_RNA)
where:
Base-Base interactions energy: -352.338
where: short stacking energy: -149.959
Base-Backbone interact. energy: -0.743
local terms energy: -168.998775
where:
bonds (distance) C4'-P energy: -35.316
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -23.523
tors. eta vs tors. theta energy: -47.830
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -516.550566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.550566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.572349 (E_RNA)
where:
Base-Base interactions energy: -361.259
where: short stacking energy: -130.022
Base-Backbone interact. energy: -0.399
local terms energy: -155.914591
where:
bonds (distance) C4'-P energy: -33.188
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -33.720
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: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -507.152918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.152918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.780683 (E_RNA)
where:
Base-Base interactions energy: -342.896
where: short stacking energy: -146.293
Base-Backbone interact. energy: -2.432
local terms energy: -162.452461
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -43.318
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: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -471.367378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.367378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.049673 (E_RNA)
where:
Base-Base interactions energy: -322.792
where: short stacking energy: -120.896
Base-Backbone interact. energy: 0.327
local terms energy: -149.585269
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -29.454
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: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -464.738214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.738214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.809067 (E_RNA)
where:
Base-Base interactions energy: -310.781
where: short stacking energy: -117.683
Base-Backbone interact. energy: 0.159
local terms energy: -154.187764
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -450.534852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.534852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.822519 (E_RNA)
where:
Base-Base interactions energy: -317.388
where: short stacking energy: -109.910
Base-Backbone interact. energy: 2.287
local terms energy: -135.722214
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -21.139
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: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -438.255889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.255889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.938257 (E_RNA)
where:
Base-Base interactions energy: -313.451
where: short stacking energy: -123.615
Base-Backbone interact. energy: 0.950
local terms energy: -126.437288
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -40.503
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: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -434.457851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.457851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.211981 (E_RNA)
where:
Base-Base interactions energy: -315.272
where: short stacking energy: -115.550
Base-Backbone interact. energy: -0.737
local terms energy: -119.203100
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -26.569
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -546.473068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.473068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.115423 (E_RNA)
where:
Base-Base interactions energy: -380.662
where: short stacking energy: -150.058
Base-Backbone interact. energy: -0.747
local terms energy: -165.706143
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -46.023
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: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -535.714858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.714858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.973204 (E_RNA)
where:
Base-Base interactions energy: -364.940
where: short stacking energy: -152.514
Base-Backbone interact. energy: 0.349
local terms energy: -171.382425
where:
bonds (distance) C4'-P energy: -33.792
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -39.710
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -531.649201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.649201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.578076 (E_RNA)
where:
Base-Base interactions energy: -374.617
where: short stacking energy: -142.269
Base-Backbone interact. energy: -1.022
local terms energy: -156.939375
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -35.752
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: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -510.056149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.056149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.366496 (E_RNA)
where:
Base-Base interactions energy: -346.343
where: short stacking energy: -140.848
Base-Backbone interact. energy: -0.571
local terms energy: -163.453073
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -43.045
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: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -509.508844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.811010 (E_RNA)
where:
Base-Base interactions energy: -359.632
where: short stacking energy: -152.957
Base-Backbone interact. energy: -0.353
local terms energy: -149.825340
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -38.026
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: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -473.005502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.005502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.578224 (E_RNA)
where:
Base-Base interactions energy: -323.610
where: short stacking energy: -140.761
Base-Backbone interact. energy: -0.310
local terms energy: -149.658161
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -40.726
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: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -451.950293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.950293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.497839 (E_RNA)
where:
Base-Base interactions energy: -318.952
where: short stacking energy: -122.637
Base-Backbone interact. energy: -0.591
local terms energy: -132.954872
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -34.827
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -457.404153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.785776 (E_RNA)
where:
Base-Base interactions energy: -309.381
where: short stacking energy: -127.899
Base-Backbone interact. energy: 0.890
local terms energy: -149.295187
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -37.624
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -435.198372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.198372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.909659 (E_RNA)
where:
Base-Base interactions energy: -311.737
where: short stacking energy: -112.928
Base-Backbone interact. energy: -2.673
local terms energy: -121.499948
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -25.981
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: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -438.682761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.682761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.618796 (E_RNA)
where:
Base-Base interactions energy: -301.535
where: short stacking energy: -117.639
Base-Backbone interact. energy: -0.578
local terms energy: -137.506359
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -31.269
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -548.987492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.987492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.927220 (E_RNA)
where:
Base-Base interactions energy: -380.725
where: short stacking energy: -145.504
Base-Backbone interact. energy: -1.426
local terms energy: -167.776573
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -43.154
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -538.939978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.939978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.346577 (E_RNA)
where:
Base-Base interactions energy: -375.567
where: short stacking energy: -144.304
Base-Backbone interact. energy: -0.712
local terms energy: -163.067008
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -37.494
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -532.830381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.830381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.023317 (E_RNA)
where:
Base-Base interactions energy: -364.727
where: short stacking energy: -153.954
Base-Backbone interact. energy: 0.447
local terms energy: -168.743113
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -34.104
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -45.496
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: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -512.358328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.358328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.523957 (E_RNA)
where:
Base-Base interactions energy: -357.439
where: short stacking energy: -143.876
Base-Backbone interact. energy: 1.112
local terms energy: -156.196707
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -38.476
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -504.291371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.291371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.472346 (E_RNA)
where:
Base-Base interactions energy: -350.706
where: short stacking energy: -135.115
Base-Backbone interact. energy: -0.719
local terms energy: -153.046890
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -467.084918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.084918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.207128 (E_RNA)
where:
Base-Base interactions energy: -322.185
where: short stacking energy: -126.481
Base-Backbone interact. energy: 0.891
local terms energy: -145.912552
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -29.399
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -469.200663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.200663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.401991 (E_RNA)
where:
Base-Base interactions energy: -319.821
where: short stacking energy: -125.808
Base-Backbone interact. energy: -0.682
local terms energy: -148.899382
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -39.347
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: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -456.387518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.387518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.898107 (E_RNA)
where:
Base-Base interactions energy: -321.803
where: short stacking energy: -127.195
Base-Backbone interact. energy: -1.134
local terms energy: -133.960982
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -36.890
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: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -440.004345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.004345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.293886 (E_RNA)
where:
Base-Base interactions energy: -324.685
where: short stacking energy: -123.948
Base-Backbone interact. energy: -0.125
local terms energy: -115.484060
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -30.806
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: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -430.615478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.615478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.420962 (E_RNA)
where:
Base-Base interactions energy: -300.121
where: short stacking energy: -122.224
Base-Backbone interact. energy: -0.863
local terms energy: -131.436790
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 1.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -563.789093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.789093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.366782 (E_RNA)
where:
Base-Base interactions energy: -385.537
where: short stacking energy: -150.906
Base-Backbone interact. energy: -1.277
local terms energy: -177.553430
where:
bonds (distance) C4'-P energy: -33.010
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -40.706
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -44.272
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: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -549.370185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.370185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.813168 (E_RNA)
where:
Base-Base interactions energy: -381.855
where: short stacking energy: -149.821
Base-Backbone interact. energy: -1.443
local terms energy: -166.514972
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -40.667
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: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -544.001566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.404831 (E_RNA)
where:
Base-Base interactions energy: -370.306
where: short stacking energy: -154.998
Base-Backbone interact. energy: -0.785
local terms energy: -173.314511
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -45.039
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: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -527.524234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.524234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.136920 (E_RNA)
where:
Base-Base interactions energy: -358.867
where: short stacking energy: -153.698
Base-Backbone interact. energy: -0.755
local terms energy: -168.514513
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -44.725
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: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -507.019084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.019084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.660177 (E_RNA)
where:
Base-Base interactions energy: -359.676
where: short stacking energy: -144.266
Base-Backbone interact. energy: 3.075
local terms energy: -151.059012
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -497.416440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.416440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.964914 (E_RNA)
where:
Base-Base interactions energy: -354.526
where: short stacking energy: -138.845
Base-Backbone interact. energy: -0.642
local terms energy: -142.796318
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -490.340922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.340922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.376176 (E_RNA)
where:
Base-Base interactions energy: -349.757
where: short stacking energy: -135.964
Base-Backbone interact. energy: -0.558
local terms energy: -140.061460
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -33.493
flat angles C4'-P-C4' energy: -31.756
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -452.471046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.471046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.004901 (E_RNA)
where:
Base-Base interactions energy: -310.949
where: short stacking energy: -123.501
Base-Backbone interact. energy: -0.730
local terms energy: -141.325630
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -30.819
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -37.601
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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -458.381131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.381131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.191169 (E_RNA)
where:
Base-Base interactions energy: -319.447
where: short stacking energy: -123.844
Base-Backbone interact. energy: -0.616
local terms energy: -139.127614
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -32.984
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: 82
Temperature: 1.350000
Total energy: -446.560872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.560872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.129300 (E_RNA)
where:
Base-Base interactions energy: -312.087
where: short stacking energy: -126.690
Base-Backbone interact. energy: -1.416
local terms energy: -134.625634
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -33.750
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -552.427358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.427358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.303050 (E_RNA)
where:
Base-Base interactions energy: -377.391
where: short stacking energy: -150.167
Base-Backbone interact. energy: -2.561
local terms energy: -173.351201
where:
bonds (distance) C4'-P energy: -33.410
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -539.201837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.201837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.560365 (E_RNA)
where:
Base-Base interactions energy: -368.383
where: short stacking energy: -159.157
Base-Backbone interact. energy: 0.407
local terms energy: -171.584887
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -519.609422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.609422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.752364 (E_RNA)
where:
Base-Base interactions energy: -375.037
where: short stacking energy: -145.688
Base-Backbone interact. energy: 1.119
local terms energy: -146.834088
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -518.856778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.856778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.608407 (E_RNA)
where:
Base-Base interactions energy: -357.364
where: short stacking energy: -138.231
Base-Backbone interact. energy: -2.523
local terms energy: -159.721129
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -38.432
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -41.045
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -504.391270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.391270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.089717 (E_RNA)
where:
Base-Base interactions energy: -353.729
where: short stacking energy: -144.520
Base-Backbone interact. energy: -0.522
local terms energy: -150.838366
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -42.665
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: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -495.557856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.557856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.684879 (E_RNA)
where:
Base-Base interactions energy: -339.446
where: short stacking energy: -133.971
Base-Backbone interact. energy: -0.798
local terms energy: -155.440789
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -38.850
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -479.213530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.213530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.055567 (E_RNA)
where:
Base-Base interactions energy: -337.541
where: short stacking energy: -130.255
Base-Backbone interact. energy: -0.792
local terms energy: -142.722348
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -38.187
Dist. restrs. and SS energy: 1.842 (S_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: -451.626299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.626299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.264807 (E_RNA)
where:
Base-Base interactions energy: -309.211
where: short stacking energy: -132.251
Base-Backbone interact. energy: -0.217
local terms energy: -142.836709
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -38.290
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: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -459.306421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.306421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.341673 (E_RNA)
where:
Base-Base interactions energy: -303.331
where: short stacking energy: -131.261
Base-Backbone interact. energy: -0.187
local terms energy: -157.823018
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -40.360
Dist. restrs. and SS energy: 2.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -411.088711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.088711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.987987 (E_RNA)
where:
Base-Base interactions energy: -297.322
where: short stacking energy: -111.508
Base-Backbone interact. energy: 1.363
local terms energy: -116.029648
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -31.050
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -559.454512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.454512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.061003 (E_RNA)
where:
Base-Base interactions energy: -387.187
where: short stacking energy: -153.921
Base-Backbone interact. energy: -0.870
local terms energy: -172.004355
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -41.835
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: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -537.222988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.222988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.536131 (E_RNA)
where:
Base-Base interactions energy: -363.399
where: short stacking energy: -160.041
Base-Backbone interact. energy: -0.267
local terms energy: -173.870028
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -43.795
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -533.337479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.337479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.798877 (E_RNA)
where:
Base-Base interactions energy: -360.935
where: short stacking energy: -141.360
Base-Backbone interact. energy: -0.453
local terms energy: -172.410784
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -44.936
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -511.879372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.879372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.380834 (E_RNA)
where:
Base-Base interactions energy: -363.225
where: short stacking energy: -144.030
Base-Backbone interact. energy: 1.440
local terms energy: -150.595927
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -37.938
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -516.764986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.764986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.334976 (E_RNA)
where:
Base-Base interactions energy: -374.135
where: short stacking energy: -153.202
Base-Backbone interact. energy: -1.197
local terms energy: -142.002915
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -44.534
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -477.180440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.180440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.535425 (E_RNA)
where:
Base-Base interactions energy: -331.733
where: short stacking energy: -128.874
Base-Backbone interact. energy: 0.035
local terms energy: -145.837853
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -33.331
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: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -489.458289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.458289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.356118 (E_RNA)
where:
Base-Base interactions energy: -351.031
where: short stacking energy: -133.387
Base-Backbone interact. energy: -0.734
local terms energy: -138.591312
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -37.689
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: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -460.696697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.696697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.452772 (E_RNA)
where:
Base-Base interactions energy: -321.514
where: short stacking energy: -129.510
Base-Backbone interact. energy: -0.792
local terms energy: -139.146994
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -33.349
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -455.313886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.313886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.617373 (E_RNA)
where:
Base-Base interactions energy: -313.161
where: short stacking energy: -129.393
Base-Backbone interact. energy: -0.872
local terms energy: -141.584664
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -41.723
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -440.668149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.668149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.326344 (E_RNA)
where:
Base-Base interactions energy: -309.501
where: short stacking energy: -121.662
Base-Backbone interact. energy: -1.284
local terms energy: -130.541919
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -28.256
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: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -547.461627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.461627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.333800 (E_RNA)
where:
Base-Base interactions energy: -382.417
where: short stacking energy: -150.373
Base-Backbone interact. energy: -1.241
local terms energy: -164.675546
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -535.236213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.236213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.962484 (E_RNA)
where:
Base-Base interactions energy: -368.571
where: short stacking energy: -148.019
Base-Backbone interact. energy: -0.274
local terms energy: -167.118195
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -508.696741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.696741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.136720 (E_RNA)
where:
Base-Base interactions energy: -349.183
where: short stacking energy: -147.193
Base-Backbone interact. energy: 0.208
local terms energy: -160.160948
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -40.740
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: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -527.584218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.584218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.869291 (E_RNA)
where:
Base-Base interactions energy: -355.370
where: short stacking energy: -143.664
Base-Backbone interact. energy: -2.180
local terms energy: -170.319652
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -41.787
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -502.185100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.185100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.464688 (E_RNA)
where:
Base-Base interactions energy: -337.815
where: short stacking energy: -140.246
Base-Backbone interact. energy: 1.042
local terms energy: -165.691488
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -40.365
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: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -500.008391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.008391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.805385 (E_RNA)
where:
Base-Base interactions energy: -337.885
where: short stacking energy: -139.811
Base-Backbone interact. energy: -0.686
local terms energy: -162.235030
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -468.179570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.179570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.243703 (E_RNA)
where:
Base-Base interactions energy: -327.686
where: short stacking energy: -122.922
Base-Backbone interact. energy: -0.498
local terms energy: -140.059945
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -34.097
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -462.278964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.278964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.706739 (E_RNA)
where:
Base-Base interactions energy: -322.112
where: short stacking energy: -120.141
Base-Backbone interact. energy: -1.101
local terms energy: -139.493666
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -34.338
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: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -444.231886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.231886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.728068 (E_RNA)
where:
Base-Base interactions energy: -303.527
where: short stacking energy: -118.645
Base-Backbone interact. energy: -1.629
local terms energy: -139.571799
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -35.128
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: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -439.231017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.231017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.384729 (E_RNA)
where:
Base-Base interactions energy: -305.026
where: short stacking energy: -120.909
Base-Backbone interact. energy: 2.767
local terms energy: -138.125302
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -34.790
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: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -542.877930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.877930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.237905 (E_RNA)
where:
Base-Base interactions energy: -365.941
where: short stacking energy: -143.843
Base-Backbone interact. energy: -0.294
local terms energy: -177.002462
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -42.928
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: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -551.672855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.672855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.087584 (E_RNA)
where:
Base-Base interactions energy: -380.058
where: short stacking energy: -153.282
Base-Backbone interact. energy: -0.357
local terms energy: -171.673317
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -47.715
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -531.486141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.486141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.902838 (E_RNA)
where:
Base-Base interactions energy: -358.627
where: short stacking energy: -144.193
Base-Backbone interact. energy: -1.179
local terms energy: -172.096944
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -46.555
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: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -526.172374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.172374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.412559 (E_RNA)
where:
Base-Base interactions energy: -361.104
where: short stacking energy: -146.920
Base-Backbone interact. energy: -0.299
local terms energy: -165.010180
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -39.969
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: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -500.677243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.677243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.595082 (E_RNA)
where:
Base-Base interactions energy: -343.536
where: short stacking energy: -138.087
Base-Backbone interact. energy: -0.384
local terms energy: -157.675870
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -38.088
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: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -493.718503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.718503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.381698 (E_RNA)
where:
Base-Base interactions energy: -342.108
where: short stacking energy: -139.673
Base-Backbone interact. energy: -0.468
local terms energy: -151.805845
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -38.636
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -41.290
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: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -473.605943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.605943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.493244 (E_RNA)
where:
Base-Base interactions energy: -331.257
where: short stacking energy: -133.149
Base-Backbone interact. energy: -2.387
local terms energy: -140.848824
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -36.957
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: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -485.626275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.626275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.020779 (E_RNA)
where:
Base-Base interactions energy: -341.512
where: short stacking energy: -138.699
Base-Backbone interact. energy: -0.988
local terms energy: -143.520702
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -37.192
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: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -456.391880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.391880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.883551 (E_RNA)
where:
Base-Base interactions energy: -302.976
where: short stacking energy: -122.268
Base-Backbone interact. energy: -1.199
local terms energy: -153.708775
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -35.459
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -426.148747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.148747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.765988 (E_RNA)
where:
Base-Base interactions energy: -290.094
where: short stacking energy: -111.106
Base-Backbone interact. energy: 2.491
local terms energy: -139.162751
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -33.986
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: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -538.051100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.051100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.309259 (E_RNA)
where:
Base-Base interactions energy: -364.354
where: short stacking energy: -143.684
Base-Backbone interact. energy: -0.379
local terms energy: -173.575384
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -29.019
tors. eta vs tors. theta energy: -44.335
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: 87
Temperature: 0.950000
Total energy: -535.726630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.726630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.317503 (E_RNA)
where:
Base-Base interactions energy: -364.561
where: short stacking energy: -146.797
Base-Backbone interact. energy: -1.453
local terms energy: -170.303284
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -39.680
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: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -531.721015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.721015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.247579 (E_RNA)
where:
Base-Base interactions energy: -363.780
where: short stacking energy: -141.259
Base-Backbone interact. energy: 1.664
local terms energy: -170.131740
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -44.286
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -510.883412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.883412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.401750 (E_RNA)
where:
Base-Base interactions energy: -354.664
where: short stacking energy: -150.922
Base-Backbone interact. energy: -1.219
local terms energy: -155.519163
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -41.209
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -496.177183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.177183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.556238 (E_RNA)
where:
Base-Base interactions energy: -338.313
where: short stacking energy: -135.244
Base-Backbone interact. energy: 2.156
local terms energy: -160.399303
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -40.522
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -481.987622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.987622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.771180 (E_RNA)
where:
Base-Base interactions energy: -342.462
where: short stacking energy: -147.799
Base-Backbone interact. energy: -0.003
local terms energy: -140.305445
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -44.279
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: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -474.447324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.447324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.292132 (E_RNA)
where:
Base-Base interactions energy: -332.104
where: short stacking energy: -128.299
Base-Backbone interact. energy: -0.060
local terms energy: -143.128001
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -31.471
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: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -472.099407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.099407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.548777 (E_RNA)
where:
Base-Base interactions energy: -319.613
where: short stacking energy: -132.780
Base-Backbone interact. energy: -0.750
local terms energy: -152.185412
where:
bonds (distance) C4'-P energy: -32.359
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -37.256
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -37.651
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: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -444.730400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.730400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.081194 (E_RNA)
where:
Base-Base interactions energy: -302.093
where: short stacking energy: -108.802
Base-Backbone interact. energy: 0.292
local terms energy: -144.280103
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -33.692
Dist. restrs. and SS energy: 1.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -422.517702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.517702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.728468 (E_RNA)
where:
Base-Base interactions energy: -293.606
where: short stacking energy: -114.774
Base-Backbone interact. energy: -0.937
local terms energy: -128.185382
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -27.600
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: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -553.996362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.996362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.361208 (E_RNA)
where:
Base-Base interactions energy: -385.167
where: short stacking energy: -163.133
Base-Backbone interact. energy: -0.935
local terms energy: -168.259303
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -33.645
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -45.897
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: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -545.700157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.700157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.177086 (E_RNA)
where:
Base-Base interactions energy: -376.263
where: short stacking energy: -159.647
Base-Backbone interact. energy: -1.339
local terms energy: -168.575309
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -49.597
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: 88
Temperature: 1.000000
Total energy: -528.283802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.431875 (E_RNA)
where:
Base-Base interactions energy: -374.145
where: short stacking energy: -154.579
Base-Backbone interact. energy: -0.397
local terms energy: -153.889756
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -46.047
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -512.188698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.188698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.283799 (E_RNA)
where:
Base-Base interactions energy: -358.090
where: short stacking energy: -149.463
Base-Backbone interact. energy: -0.753
local terms energy: -153.440944
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -40.341
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -495.243172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.243172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.063306 (E_RNA)
where:
Base-Base interactions energy: -338.402
where: short stacking energy: -118.632
Base-Backbone interact. energy: 1.514
local terms energy: -159.175268
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -490.004944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.004944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.186580 (E_RNA)
where:
Base-Base interactions energy: -342.863
where: short stacking energy: -136.946
Base-Backbone interact. energy: 0.935
local terms energy: -148.258313
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -38.213
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: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -472.605110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.605110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.799805 (E_RNA)
where:
Base-Base interactions energy: -326.526
where: short stacking energy: -128.532
Base-Backbone interact. energy: -0.425
local terms energy: -145.849344
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -34.477
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: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -451.481580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.481580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.525042 (E_RNA)
where:
Base-Base interactions energy: -320.581
where: short stacking energy: -134.011
Base-Backbone interact. energy: -0.646
local terms energy: -132.298076
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -36.624
Dist. restrs. and SS energy: 2.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -457.112036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.112036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.657914 (E_RNA)
where:
Base-Base interactions energy: -330.347
where: short stacking energy: -115.959
Base-Backbone interact. energy: 1.071
local terms energy: -129.381946
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -421.671206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.671206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.365447 (E_RNA)
where:
Base-Base interactions energy: -293.843
where: short stacking energy: -111.217
Base-Backbone interact. energy: -0.825
local terms energy: -127.698236
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -20.405
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -559.645636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.645636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.186768 (E_RNA)
where:
Base-Base interactions energy: -386.606
where: short stacking energy: -164.043
Base-Backbone interact. energy: -1.056
local terms energy: -172.524637
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -45.973
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: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -544.011807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.011807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.095366 (E_RNA)
where:
Base-Base interactions energy: -373.692
where: short stacking energy: -156.486
Base-Backbone interact. energy: -0.606
local terms energy: -169.797302
where:
bonds (distance) C4'-P energy: -28.417
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -34.267
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -47.699
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: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -521.653355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.653355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.950865 (E_RNA)
where:
Base-Base interactions energy: -348.887
where: short stacking energy: -131.478
Base-Backbone interact. energy: -1.338
local terms energy: -171.725975
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -43.294
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: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -521.473308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.473308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.747693 (E_RNA)
where:
Base-Base interactions energy: -354.626
where: short stacking energy: -142.444
Base-Backbone interact. energy: -0.768
local terms energy: -166.353980
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -45.867
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: 89
Temperature: 1.100000
Total energy: -502.594724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.594724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.203675 (E_RNA)
where:
Base-Base interactions energy: -340.247
where: short stacking energy: -134.051
Base-Backbone interact. energy: -0.439
local terms energy: -162.517953
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -39.613
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -42.641
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: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -482.734655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.734655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.822900 (E_RNA)
where:
Base-Base interactions energy: -333.585
where: short stacking energy: -126.668
Base-Backbone interact. energy: -0.809
local terms energy: -148.428445
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -38.640
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: 89
Temperature: 1.200000
Total energy: -484.107243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.107243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.534511 (E_RNA)
where:
Base-Base interactions energy: -325.291
where: short stacking energy: -130.451
Base-Backbone interact. energy: -0.226
local terms energy: -159.017585
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -35.280
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: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -468.592697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.592697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.203085 (E_RNA)
where:
Base-Base interactions energy: -319.520
where: short stacking energy: -125.342
Base-Backbone interact. energy: -0.496
local terms energy: -149.187381
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -35.395
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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -459.385072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.385072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.940242 (E_RNA)
where:
Base-Base interactions energy: -319.713
where: short stacking energy: -117.168
Base-Backbone interact. energy: -1.678
local terms energy: -138.549153
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -34.071
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -36.119
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -426.885551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.885551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.896147 (E_RNA)
where:
Base-Base interactions energy: -301.685
where: short stacking energy: -115.318
Base-Backbone interact. energy: -0.625
local terms energy: -125.585520
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -22.236
Dist. restrs. and SS energy: 1.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -556.489825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.489825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.923396 (E_RNA)
where:
Base-Base interactions energy: -374.360
where: short stacking energy: -147.720
Base-Backbone interact. energy: -1.100
local terms energy: -181.463661
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -41.961
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: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -532.915467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.915467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.522117 (E_RNA)
where:
Base-Base interactions energy: -373.509
where: short stacking energy: -161.026
Base-Backbone interact. energy: -1.397
local terms energy: -158.616321
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -44.339
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: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -531.221948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.221948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.550665 (E_RNA)
where:
Base-Base interactions energy: -367.168
where: short stacking energy: -151.099
Base-Backbone interact. energy: -1.011
local terms energy: -163.371524
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -39.445
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: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -510.618356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.618356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.956170 (E_RNA)
where:
Base-Base interactions energy: -343.672
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.344
local terms energy: -166.940446
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -44.252
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -488.836005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.836005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.163279 (E_RNA)
where:
Base-Base interactions energy: -342.594
where: short stacking energy: -143.880
Base-Backbone interact. energy: 1.073
local terms energy: -147.641489
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -37.790
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: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -485.981238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.981238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.469914 (E_RNA)
where:
Base-Base interactions energy: -335.421
where: short stacking energy: -126.758
Base-Backbone interact. energy: 0.962
local terms energy: -153.010541
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -38.970
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -469.085270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.085270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.566845 (E_RNA)
where:
Base-Base interactions energy: -323.210
where: short stacking energy: -115.269
Base-Backbone interact. energy: -1.008
local terms energy: -146.348554
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 1.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -467.304061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.304061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.409336 (E_RNA)
where:
Base-Base interactions energy: -331.349
where: short stacking energy: -136.366
Base-Backbone interact. energy: -0.375
local terms energy: -135.685490
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -35.341
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: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -468.157234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.157234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.410237 (E_RNA)
where:
Base-Base interactions energy: -318.990
where: short stacking energy: -128.457
Base-Backbone interact. energy: 1.795
local terms energy: -152.215666
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -440.612828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.612828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.630650 (E_RNA)
where:
Base-Base interactions energy: -315.213
where: short stacking energy: -125.088
Base-Backbone interact. energy: -0.780
local terms energy: -125.638243
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 1.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -553.685844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.685844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.636651 (E_RNA)
where:
Base-Base interactions energy: -386.505
where: short stacking energy: -143.410
Base-Backbone interact. energy: -1.890
local terms energy: -166.241948
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -42.744
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -542.459767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.459767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.768426 (E_RNA)
where:
Base-Base interactions energy: -366.950
where: short stacking energy: -151.425
Base-Backbone interact. energy: -0.490
local terms energy: -175.328691
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -42.043
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: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -527.907173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.907173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.766767 (E_RNA)
where:
Base-Base interactions energy: -355.273
where: short stacking energy: -133.392
Base-Backbone interact. energy: -1.104
local terms energy: -172.390146
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -42.268
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: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -506.679595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.679595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.133882 (E_RNA)
where:
Base-Base interactions energy: -348.212
where: short stacking energy: -145.108
Base-Backbone interact. energy: 0.417
local terms energy: -159.338722
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -42.852
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -486.779760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.779760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.251755 (E_RNA)
where:
Base-Base interactions energy: -338.890
where: short stacking energy: -140.215
Base-Backbone interact. energy: -0.272
local terms energy: -148.089088
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -35.965
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: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -485.287856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.287856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.812314 (E_RNA)
where:
Base-Base interactions energy: -333.731
where: short stacking energy: -132.877
Base-Backbone interact. energy: -1.770
local terms energy: -150.310795
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -39.926
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: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -483.758018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.758018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.328990 (E_RNA)
where:
Base-Base interactions energy: -344.089
where: short stacking energy: -145.976
Base-Backbone interact. energy: -0.466
local terms energy: -139.774714
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -37.537
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: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -456.730304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.730304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.078943 (E_RNA)
where:
Base-Base interactions energy: -311.466
where: short stacking energy: -116.953
Base-Backbone interact. energy: -0.919
local terms energy: -144.693954
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -31.957
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: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -438.845524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.845524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.803645 (E_RNA)
where:
Base-Base interactions energy: -301.271
where: short stacking energy: -116.883
Base-Backbone interact. energy: -0.828
local terms energy: -137.704041
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -33.211
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -423.361204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.361204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.665952 (E_RNA)
where:
Base-Base interactions energy: -304.196
where: short stacking energy: -111.294
Base-Backbone interact. energy: -0.984
local terms energy: -118.486022
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -24.052
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: 92
Temperature: 0.900000
Total energy: -556.940754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.940754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.708423 (E_RNA)
where:
Base-Base interactions energy: -386.370
where: short stacking energy: -158.124
Base-Backbone interact. energy: -1.105
local terms energy: -170.232791
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -45.405
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -541.683312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.683312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.484426 (E_RNA)
where:
Base-Base interactions energy: -368.419
where: short stacking energy: -147.387
Base-Backbone interact. energy: -0.683
local terms energy: -173.382479
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -45.129
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: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -521.642383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.642383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.758847 (E_RNA)
where:
Base-Base interactions energy: -362.788
where: short stacking energy: -141.688
Base-Backbone interact. energy: -1.519
local terms energy: -157.452108
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -28.809
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -39.856
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: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -522.042899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.042899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.755616 (E_RNA)
where:
Base-Base interactions energy: -354.075
where: short stacking energy: -151.267
Base-Backbone interact. energy: -0.190
local terms energy: -168.490408
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -45.081
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: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -496.703511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.703511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.060536 (E_RNA)
where:
Base-Base interactions energy: -348.022
where: short stacking energy: -136.778
Base-Backbone interact. energy: 1.500
local terms energy: -150.538822
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -36.631
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: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -493.702909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.319656 (E_RNA)
where:
Base-Base interactions energy: -345.119
where: short stacking energy: -142.634
Base-Backbone interact. energy: -1.428
local terms energy: -147.773108
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -44.428
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: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -478.678262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.678262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.956358 (E_RNA)
where:
Base-Base interactions energy: -330.544
where: short stacking energy: -138.205
Base-Backbone interact. energy: -0.275
local terms energy: -149.137467
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -454.652050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.652050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.802934 (E_RNA)
where:
Base-Base interactions energy: -313.692
where: short stacking energy: -116.603
Base-Backbone interact. energy: 0.709
local terms energy: -142.819462
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -37.782
Dist. restrs. and SS energy: 1.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -413.441957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.441957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.524313 (E_RNA)
where:
Base-Base interactions energy: -302.493
where: short stacking energy: -123.125
Base-Backbone interact. energy: -0.583
local terms energy: -111.448931
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -422.333845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.333845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.094973 (E_RNA)
where:
Base-Base interactions energy: -292.241
where: short stacking energy: -109.465
Base-Backbone interact. energy: -0.287
local terms energy: -130.567566
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -28.790
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -556.467653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.467653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.799408 (E_RNA)
where:
Base-Base interactions energy: -382.440
where: short stacking energy: -165.210
Base-Backbone interact. energy: -0.800
local terms energy: -173.559637
where:
bonds (distance) C4'-P energy: -32.347
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -47.734
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -547.385905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.385905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.603731 (E_RNA)
where:
Base-Base interactions energy: -382.350
where: short stacking energy: -161.681
Base-Backbone interact. energy: -0.940
local terms energy: -164.313996
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -50.047
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: 93
Temperature: 1.000000
Total energy: -513.596135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.596135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.043960 (E_RNA)
where:
Base-Base interactions energy: -350.806
where: short stacking energy: -133.284
Base-Backbone interact. energy: -2.609
local terms energy: -160.628132
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -22.785
tors. eta vs tors. theta energy: -37.352
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: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -520.759689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.759689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.050224 (E_RNA)
where:
Base-Base interactions energy: -350.962
where: short stacking energy: -143.750
Base-Backbone interact. energy: -1.738
local terms energy: -169.351129
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -485.857112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.857112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.252821 (E_RNA)
where:
Base-Base interactions energy: -332.015
where: short stacking energy: -138.469
Base-Backbone interact. energy: 0.557
local terms energy: -154.794849
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -33.236
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -499.049411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.049411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.305420 (E_RNA)
where:
Base-Base interactions energy: -334.252
where: short stacking energy: -133.380
Base-Backbone interact. energy: -1.269
local terms energy: -163.784913
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -469.784955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.501885 (E_RNA)
where:
Base-Base interactions energy: -326.315
where: short stacking energy: -134.354
Base-Backbone interact. energy: -0.580
local terms energy: -143.606444
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -33.903
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -474.230567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.230567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.895722 (E_RNA)
where:
Base-Base interactions energy: -326.379
where: short stacking energy: -137.014
Base-Backbone interact. energy: 1.866
local terms energy: -151.382590
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -41.573
Dist. restrs. and SS energy: 1.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -460.700682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.700682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.303240 (E_RNA)
where:
Base-Base interactions energy: -323.564
where: short stacking energy: -134.876
Base-Backbone interact. energy: -0.676
local terms energy: -137.063144
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -32.616
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: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -422.919021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.919021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.088304 (E_RNA)
where:
Base-Base interactions energy: -302.501
where: short stacking energy: -109.416
Base-Backbone interact. energy: -0.375
local terms energy: -120.212872
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -27.987
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: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -545.653529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.653529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.926497 (E_RNA)
where:
Base-Base interactions energy: -372.119
where: short stacking energy: -162.832
Base-Backbone interact. energy: -1.678
local terms energy: -172.129308
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -38.277
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -46.177
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: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -546.308941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.308941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.652957 (E_RNA)
where:
Base-Base interactions energy: -375.003
where: short stacking energy: -159.242
Base-Backbone interact. energy: 0.312
local terms energy: -171.961673
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -46.103
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -521.364529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.364529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.509748 (E_RNA)
where:
Base-Base interactions energy: -371.511
where: short stacking energy: -150.676
Base-Backbone interact. energy: 1.251
local terms energy: -153.249403
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -43.348
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -507.673807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.673807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.031927 (E_RNA)
where:
Base-Base interactions energy: -350.601
where: short stacking energy: -140.665
Base-Backbone interact. energy: -1.368
local terms energy: -156.062540
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -42.178
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: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -506.335520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.335520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.642306 (E_RNA)
where:
Base-Base interactions energy: -341.725
where: short stacking energy: -129.627
Base-Backbone interact. energy: -0.390
local terms energy: -164.527506
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -43.719
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: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -460.996543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.996543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.498430 (E_RNA)
where:
Base-Base interactions energy: -311.999
where: short stacking energy: -119.829
Base-Backbone interact. energy: -1.145
local terms energy: -148.354479
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -40.183
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -481.813188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.813188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.145189 (E_RNA)
where:
Base-Base interactions energy: -327.966
where: short stacking energy: -139.258
Base-Backbone interact. energy: -1.126
local terms energy: -153.053120
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -35.411
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -431.693191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.693191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.157454 (E_RNA)
where:
Base-Base interactions energy: -297.862
where: short stacking energy: -108.376
Base-Backbone interact. energy: -2.055
local terms energy: -132.240336
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -23.452
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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -439.914702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.914702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.408552 (E_RNA)
where:
Base-Base interactions energy: -319.826
where: short stacking energy: -127.726
Base-Backbone interact. energy: -0.308
local terms energy: -123.274569
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 3.494 (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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -443.941288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.941288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.085335 (E_RNA)
where:
Base-Base interactions energy: -314.462
where: short stacking energy: -108.747
Base-Backbone interact. energy: -2.288
local terms energy: -127.335542
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -32.558
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: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -542.497242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.497242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.951999 (E_RNA)
where:
Base-Base interactions energy: -379.316
where: short stacking energy: -156.220
Base-Backbone interact. energy: -0.675
local terms energy: -162.961089
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -43.864
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -537.992926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.992926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.425608 (E_RNA)
where:
Base-Base interactions energy: -370.987
where: short stacking energy: -154.894
Base-Backbone interact. energy: -1.736
local terms energy: -165.702804
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -44.778
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: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -538.702647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.702647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.288493 (E_RNA)
where:
Base-Base interactions energy: -365.840
where: short stacking energy: -138.618
Base-Backbone interact. energy: -1.472
local terms energy: -171.976212
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -47.976
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: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -517.765721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.765721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.169263 (E_RNA)
where:
Base-Base interactions energy: -363.001
where: short stacking energy: -140.252
Base-Backbone interact. energy: -0.146
local terms energy: -155.021534
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -36.729
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: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -509.208786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.208786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.216978 (E_RNA)
where:
Base-Base interactions energy: -356.961
where: short stacking energy: -145.327
Base-Backbone interact. energy: -0.593
local terms energy: -152.662567
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -483.638031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.638031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.997880 (E_RNA)
where:
Base-Base interactions energy: -348.953
where: short stacking energy: -138.433
Base-Backbone interact. energy: -0.888
local terms energy: -134.156629
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -32.724
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -474.188254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.188254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.681698 (E_RNA)
where:
Base-Base interactions energy: -330.700
where: short stacking energy: -126.714
Base-Backbone interact. energy: -0.678
local terms energy: -143.304189
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -31.677
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: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -440.098063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.098063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.354431 (E_RNA)
where:
Base-Base interactions energy: -306.275
where: short stacking energy: -116.320
Base-Backbone interact. energy: -0.974
local terms energy: -133.105400
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -29.414
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: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -431.190275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.190275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.316079 (E_RNA)
where:
Base-Base interactions energy: -286.155
where: short stacking energy: -111.693
Base-Backbone interact. energy: -0.998
local terms energy: -145.163135
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -433.906317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.906317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.348318 (E_RNA)
where:
Base-Base interactions energy: -312.208
where: short stacking energy: -121.120
Base-Backbone interact. energy: 0.630
local terms energy: -125.770954
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -548.799468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.799468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.282073 (E_RNA)
where:
Base-Base interactions energy: -381.415
where: short stacking energy: -150.799
Base-Backbone interact. energy: -0.228
local terms energy: -167.638577
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -25.890
tors. eta vs tors. theta energy: -41.837
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: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -540.946860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.946860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.518828 (E_RNA)
where:
Base-Base interactions energy: -377.385
where: short stacking energy: -160.530
Base-Backbone interact. energy: 1.433
local terms energy: -165.566398
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -47.588
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: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -517.197758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.197758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.895547 (E_RNA)
where:
Base-Base interactions energy: -362.359
where: short stacking energy: -151.102
Base-Backbone interact. energy: -0.702
local terms energy: -154.834721
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -41.601
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: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -529.854628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.854628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.707824 (E_RNA)
where:
Base-Base interactions energy: -359.919
where: short stacking energy: -156.982
Base-Backbone interact. energy: -1.290
local terms energy: -169.499050
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -48.635
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -514.985644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.985644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.717947 (E_RNA)
where:
Base-Base interactions energy: -351.223
where: short stacking energy: -139.056
Base-Backbone interact. energy: -0.163
local terms energy: -164.332400
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -43.800
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -463.565017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.565017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.547833 (E_RNA)
where:
Base-Base interactions energy: -328.076
where: short stacking energy: -127.364
Base-Backbone interact. energy: -2.137
local terms energy: -134.334534
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -449.392612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.392612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.680031 (E_RNA)
where:
Base-Base interactions energy: -320.816
where: short stacking energy: -123.447
Base-Backbone interact. energy: 4.019
local terms energy: -132.883064
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -458.133215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.133215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.819894 (E_RNA)
where:
Base-Base interactions energy: -311.325
where: short stacking energy: -135.251
Base-Backbone interact. energy: -0.622
local terms energy: -148.872181
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -36.712
Dist. restrs. and SS energy: 2.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -448.560534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.560534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.314009 (E_RNA)
where:
Base-Base interactions energy: -323.191
where: short stacking energy: -131.431
Base-Backbone interact. energy: -0.676
local terms energy: -125.446410
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -432.637373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.637373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.578896 (E_RNA)
where:
Base-Base interactions energy: -294.479
where: short stacking energy: -119.485
Base-Backbone interact. energy: 0.682
local terms energy: -143.782089
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 4.942 (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: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -549.604442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.604442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.386325 (E_RNA)
where:
Base-Base interactions energy: -377.510
where: short stacking energy: -158.398
Base-Backbone interact. energy: -1.549
local terms energy: -171.327154
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -43.230
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: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -543.349429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.349429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.723053 (E_RNA)
where:
Base-Base interactions energy: -370.793
where: short stacking energy: -155.003
Base-Backbone interact. energy: -0.962
local terms energy: -171.967957
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -44.614
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: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -515.997450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.997450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.472017 (E_RNA)
where:
Base-Base interactions energy: -358.720
where: short stacking energy: -157.454
Base-Backbone interact. energy: 0.437
local terms energy: -158.189444
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -35.065
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -511.447673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.447673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.534245 (E_RNA)
where:
Base-Base interactions energy: -346.807
where: short stacking energy: -149.756
Base-Backbone interact. energy: -1.093
local terms energy: -163.634678
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -39.029
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -35.206
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -495.494665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.494665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.076128 (E_RNA)
where:
Base-Base interactions energy: -341.194
where: short stacking energy: -129.630
Base-Backbone interact. energy: 0.284
local terms energy: -156.165914
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -486.353739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.353739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.653492 (E_RNA)
where:
Base-Base interactions energy: -339.640
where: short stacking energy: -122.727
Base-Backbone interact. energy: -1.833
local terms energy: -145.180135
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -33.544
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -442.563547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.563547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.773687 (E_RNA)
where:
Base-Base interactions energy: -308.905
where: short stacking energy: -122.037
Base-Backbone interact. energy: 0.355
local terms energy: -134.224335
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -36.799
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -22.392
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: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -453.059649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.059649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.674852 (E_RNA)
where:
Base-Base interactions energy: -303.538
where: short stacking energy: -117.038
Base-Backbone interact. energy: -1.845
local terms energy: -148.291574
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -35.579
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -439.211794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.211794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.805027 (E_RNA)
where:
Base-Base interactions energy: -306.361
where: short stacking energy: -117.728
Base-Backbone interact. energy: -1.065
local terms energy: -132.378965
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -31.995
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: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -443.429981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.429981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.663589 (E_RNA)
where:
Base-Base interactions energy: -322.118
where: short stacking energy: -119.753
Base-Backbone interact. energy: -2.171
local terms energy: -119.374806
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -29.191
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: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -558.001747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.001747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.181396 (E_RNA)
where:
Base-Base interactions energy: -375.374
where: short stacking energy: -157.280
Base-Backbone interact. energy: -1.454
local terms energy: -181.353283
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -34.937
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -44.612
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: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -551.558704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.558704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.765272 (E_RNA)
where:
Base-Base interactions energy: -377.216
where: short stacking energy: -153.662
Base-Backbone interact. energy: -0.081
local terms energy: -174.468188
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -45.340
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: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -523.233610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.233610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.895573 (E_RNA)
where:
Base-Base interactions energy: -359.776
where: short stacking energy: -140.065
Base-Backbone interact. energy: -1.240
local terms energy: -162.880223
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -28.793
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -521.863561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.863561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.237957 (E_RNA)
where:
Base-Base interactions energy: -356.285
where: short stacking energy: -146.837
Base-Backbone interact. energy: -1.926
local terms energy: -164.027111
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -41.743
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: 98
Temperature: 1.100000
Total energy: -498.606888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.606888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.855776 (E_RNA)
where:
Base-Base interactions energy: -345.639
where: short stacking energy: -132.398
Base-Backbone interact. energy: -1.942
local terms energy: -151.275437
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -39.206
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: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -483.375061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.375061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.706706 (E_RNA)
where:
Base-Base interactions energy: -334.027
where: short stacking energy: -139.091
Base-Backbone interact. energy: 0.557
local terms energy: -151.236498
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -42.225
Dist. restrs. and SS energy: 1.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -445.248926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.248926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.465092 (E_RNA)
where:
Base-Base interactions energy: -313.815
where: short stacking energy: -124.831
Base-Backbone interact. energy: -0.498
local terms energy: -131.152093
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -35.160
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: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -439.726724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.726724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.628050 (E_RNA)
where:
Base-Base interactions energy: -295.376
where: short stacking energy: -127.612
Base-Backbone interact. energy: 0.725
local terms energy: -145.977647
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -32.450
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -437.991420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.991420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.890549 (E_RNA)
where:
Base-Base interactions energy: -298.294
where: short stacking energy: -115.261
Base-Backbone interact. energy: -0.451
local terms energy: -140.145803
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -31.394
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: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -427.686380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.686380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.768043 (E_RNA)
where:
Base-Base interactions energy: -289.936
where: short stacking energy: -109.120
Base-Backbone interact. energy: -0.761
local terms energy: -138.070593
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -549.347604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.347604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.660998 (E_RNA)
where:
Base-Base interactions energy: -390.494
where: short stacking energy: -154.924
Base-Backbone interact. energy: -0.941
local terms energy: -158.226634
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -42.449
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -527.010730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.010730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.904081 (E_RNA)
where:
Base-Base interactions energy: -366.380
where: short stacking energy: -141.967
Base-Backbone interact. energy: -1.249
local terms energy: -160.275241
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -37.707
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: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -532.355751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.355751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.110233 (E_RNA)
where:
Base-Base interactions energy: -367.408
where: short stacking energy: -150.956
Base-Backbone interact. energy: -0.858
local terms energy: -164.843784
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -37.116
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -42.865
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: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -515.715902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.715902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.681963 (E_RNA)
where:
Base-Base interactions energy: -362.034
where: short stacking energy: -141.736
Base-Backbone interact. energy: -1.637
local terms energy: -153.010742
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -39.918
Dist. restrs. and SS energy: 0.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -499.641428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.641428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.019892 (E_RNA)
where:
Base-Base interactions energy: -342.284
where: short stacking energy: -135.431
Base-Backbone interact. energy: -0.818
local terms energy: -156.917720
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -40.985
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: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -465.193808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.193808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.519646 (E_RNA)
where:
Base-Base interactions energy: -319.256
where: short stacking energy: -129.112
Base-Backbone interact. energy: -0.931
local terms energy: -145.332402
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -38.257
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -28.973
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: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -490.528753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.528753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.437227 (E_RNA)
where:
Base-Base interactions energy: -338.254
where: short stacking energy: -132.778
Base-Backbone interact. energy: -0.176
local terms energy: -153.007430
where:
bonds (distance) C4'-P energy: -31.297
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -38.089
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -459.036094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.036094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.771148 (E_RNA)
where:
Base-Base interactions energy: -304.070
where: short stacking energy: -112.081
Base-Backbone interact. energy: -1.683
local terms energy: -154.018272
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -28.603
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -431.216551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.216551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.715648 (E_RNA)
where:
Base-Base interactions energy: -288.455
where: short stacking energy: -114.389
Base-Backbone interact. energy: -1.088
local terms energy: -142.172350
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -34.611
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: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -438.578794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.578794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.654229 (E_RNA)
where:
Base-Base interactions energy: -300.920
where: short stacking energy: -108.873
Base-Backbone interact. energy: -0.137
local terms energy: -138.597787
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -31.616
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -541.738814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.738814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.909523 (E_RNA)
where:
Base-Base interactions energy: -370.334
where: short stacking energy: -155.023
Base-Backbone interact. energy: -1.850
local terms energy: -169.725859
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -41.392
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: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -534.767922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.767922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.892544 (E_RNA)
where:
Base-Base interactions energy: -363.217
where: short stacking energy: -148.606
Base-Backbone interact. energy: -1.008
local terms energy: -170.668512
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -44.133
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -520.096236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.096236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.994590 (E_RNA)
where:
Base-Base interactions energy: -357.378
where: short stacking energy: -144.450
Base-Backbone interact. energy: 0.142
local terms energy: -163.758721
where:
bonds (distance) C4'-P energy: -32.491
bonds (distance) P-C4' energy: -33.022
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -35.868
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -495.070401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.070401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.215482 (E_RNA)
where:
Base-Base interactions energy: -359.341
where: short stacking energy: -128.906
Base-Backbone interact. energy: -1.220
local terms energy: -134.654223
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -29.429
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -466.536304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.536304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.235597 (E_RNA)
where:
Base-Base interactions energy: -309.722
where: short stacking energy: -123.521
Base-Backbone interact. energy: -0.199
local terms energy: -157.315150
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -34.756
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -503.038176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.038176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.605609 (E_RNA)
where:
Base-Base interactions energy: -339.205
where: short stacking energy: -126.604
Base-Backbone interact. energy: -2.360
local terms energy: -162.041044
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -37.255
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -37.991
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -472.549052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.549052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.670963 (E_RNA)
where:
Base-Base interactions energy: -328.807
where: short stacking energy: -143.990
Base-Backbone interact. energy: -0.579
local terms energy: -144.284385
where:
bonds (distance) C4'-P energy: -27.229
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -40.428
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: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -443.836190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.347579 (E_RNA)
where:
Base-Base interactions energy: -306.833
where: short stacking energy: -116.416
Base-Backbone interact. energy: -0.053
local terms energy: -137.461853
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -27.701
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: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -447.938935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.938935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.357907 (E_RNA)
where:
Base-Base interactions energy: -305.669
where: short stacking energy: -126.852
Base-Backbone interact. energy: 3.727
local terms energy: -147.415551
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -35.406
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: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -442.515535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.515535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.491971 (E_RNA)
where:
Base-Base interactions energy: -321.992
where: short stacking energy: -132.487
Base-Backbone interact. energy: 0.620
local terms energy: -122.120055
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -34.545
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: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -552.660330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.660330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.052889 (E_RNA)
where:
Base-Base interactions energy: -385.807
where: short stacking energy: -159.991
Base-Backbone interact. energy: 5.617
local terms energy: -172.862619
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -46.479
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -529.066985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.066985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.029001 (E_RNA)
where:
Base-Base interactions energy: -368.540
where: short stacking energy: -149.103
Base-Backbone interact. energy: -0.315
local terms energy: -161.174217
where:
bonds (distance) C4'-P energy: -36.083
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -37.299
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -530.535300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.535300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.978389 (E_RNA)
where:
Base-Base interactions energy: -367.374
where: short stacking energy: -148.473
Base-Backbone interact. energy: -1.433
local terms energy: -162.171570
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -39.732
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -519.371169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.371169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.220722 (E_RNA)
where:
Base-Base interactions energy: -355.791
where: short stacking energy: -133.665
Base-Backbone interact. energy: -0.860
local terms energy: -163.570401
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -37.291
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -479.753332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.753332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.833797 (E_RNA)
where:
Base-Base interactions energy: -331.090
where: short stacking energy: -131.817
Base-Backbone interact. energy: -0.806
local terms energy: -147.936937
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -32.046
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -495.383784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.383784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.825322 (E_RNA)
where:
Base-Base interactions energy: -339.287
where: short stacking energy: -137.827
Base-Backbone interact. energy: 0.221
local terms energy: -156.759274
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -39.939
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: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -481.592681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.592681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.148769 (E_RNA)
where:
Base-Base interactions energy: -339.638
where: short stacking energy: -134.028
Base-Backbone interact. energy: -0.217
local terms energy: -142.293090
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -36.188
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: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -443.640673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.640673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.752783 (E_RNA)
where:
Base-Base interactions energy: -320.885
where: short stacking energy: -133.124
Base-Backbone interact. energy: -0.265
local terms energy: -123.603336
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -436.224156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.224156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.436209 (E_RNA)
where:
Base-Base interactions energy: -293.841
where: short stacking energy: -115.517
Base-Backbone interact. energy: -0.303
local terms energy: -146.292415
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 4.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -430.240464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.240464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.025264 (E_RNA)
where:
Base-Base interactions energy: -301.114
where: short stacking energy: -119.776
Base-Backbone interact. energy: 0.737
local terms energy: -130.648610
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -27.758
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: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -549.800071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.800071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.305741 (E_RNA)
where:
Base-Base interactions energy: -380.093
where: short stacking energy: -159.431
Base-Backbone interact. energy: -0.217
local terms energy: -169.995581
where:
bonds (distance) C4'-P energy: -36.848
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -43.824
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: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -543.085383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.085383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.772571 (E_RNA)
where:
Base-Base interactions energy: -365.930
where: short stacking energy: -150.456
Base-Backbone interact. energy: -1.626
local terms energy: -176.217036
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -39.771
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -46.631
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -526.962234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.962234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.744260 (E_RNA)
where:
Base-Base interactions energy: -371.019
where: short stacking energy: -141.051
Base-Backbone interact. energy: -0.063
local terms energy: -156.662682
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -35.113
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: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -526.204394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.204394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.574813 (E_RNA)
where:
Base-Base interactions energy: -360.742
where: short stacking energy: -142.051
Base-Backbone interact. energy: -1.051
local terms energy: -164.781661
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -34.380
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -40.297
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -504.090614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.090614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.134731 (E_RNA)
where:
Base-Base interactions energy: -348.852
where: short stacking energy: -143.335
Base-Backbone interact. energy: -1.774
local terms energy: -154.508877
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -39.680
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -449.525201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.525201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.821146 (E_RNA)
where:
Base-Base interactions energy: -306.873
where: short stacking energy: -120.614
Base-Backbone interact. energy: -0.838
local terms energy: -142.110400
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -26.916
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: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -491.942533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.942533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.519295 (E_RNA)
where:
Base-Base interactions energy: -343.247
where: short stacking energy: -143.836
Base-Backbone interact. energy: -0.364
local terms energy: -148.907943
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -34.807
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -36.535
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: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -432.927199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.927199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.478722 (E_RNA)
where:
Base-Base interactions energy: -288.255
where: short stacking energy: -115.343
Base-Backbone interact. energy: -0.819
local terms energy: -145.405449
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -448.596091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.596091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.790386 (E_RNA)
where:
Base-Base interactions energy: -322.608
where: short stacking energy: -130.384
Base-Backbone interact. energy: -0.758
local terms energy: -126.424703
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -31.082
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: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -430.315916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.315916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.515532 (E_RNA)
where:
Base-Base interactions energy: -309.361
where: short stacking energy: -105.094
Base-Backbone interact. energy: -0.681
local terms energy: -121.473300
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -30.685
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -562.496796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.496796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.953299 (E_RNA)
where:
Base-Base interactions energy: -384.135
where: short stacking energy: -166.346
Base-Backbone interact. energy: -1.019
local terms energy: -177.799264
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -40.159
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -45.823
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -532.445113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.445113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.613818 (E_RNA)
where:
Base-Base interactions energy: -381.713
where: short stacking energy: -147.061
Base-Backbone interact. energy: -0.489
local terms energy: -150.411785
where:
bonds (distance) C4'-P energy: -35.054
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -34.386
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -531.239831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.239831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.715204 (E_RNA)
where:
Base-Base interactions energy: -364.229
where: short stacking energy: -147.360
Base-Backbone interact. energy: -0.785
local terms energy: -166.700892
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -40.755
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -39.796
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: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -512.478416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.478416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.232825 (E_RNA)
where:
Base-Base interactions energy: -354.666
where: short stacking energy: -139.025
Base-Backbone interact. energy: -0.806
local terms energy: -157.760982
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -40.601
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -508.299210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.299210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.059855 (E_RNA)
where:
Base-Base interactions energy: -347.724
where: short stacking energy: -137.004
Base-Backbone interact. energy: -0.883
local terms energy: -160.452810
where:
bonds (distance) C4'-P energy: -32.633
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -38.008
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -456.744407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.744407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.933597 (E_RNA)
where:
Base-Base interactions energy: -306.780
where: short stacking energy: -115.885
Base-Backbone interact. energy: -2.367
local terms energy: -147.786586
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -488.124301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.124301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.563058 (E_RNA)
where:
Base-Base interactions energy: -344.927
where: short stacking energy: -138.025
Base-Backbone interact. energy: 1.558
local terms energy: -145.193477
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -37.518
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: 103
Temperature: 1.250000
Total energy: -458.470354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.470354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.758859 (E_RNA)
where:
Base-Base interactions energy: -313.718
where: short stacking energy: -115.378
Base-Backbone interact. energy: -0.801
local terms energy: -144.239720
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -27.209
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: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -433.505648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.505648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.667879 (E_RNA)
where:
Base-Base interactions energy: -296.144
where: short stacking energy: -122.156
Base-Backbone interact. energy: -0.944
local terms energy: -138.580502
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -416.390288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.390288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.933700 (E_RNA)
where:
Base-Base interactions energy: -290.952
where: short stacking energy: -106.443
Base-Backbone interact. energy: -0.619
local terms energy: -125.362508
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -23.053
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: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -545.582807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.582807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.741503 (E_RNA)
where:
Base-Base interactions energy: -370.541
where: short stacking energy: -149.431
Base-Backbone interact. energy: -1.487
local terms energy: -173.713642
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -44.031
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: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -542.772984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.772984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.987200 (E_RNA)
where:
Base-Base interactions energy: -375.212
where: short stacking energy: -152.161
Base-Backbone interact. energy: 1.542
local terms energy: -169.317447
where:
bonds (distance) C4'-P energy: -34.430
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -37.490
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: 104
Temperature: 1.000000
Total energy: -520.188610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.188610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.344442 (E_RNA)
where:
Base-Base interactions energy: -356.283
where: short stacking energy: -137.482
Base-Backbone interact. energy: -1.457
local terms energy: -163.604179
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -43.539
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: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -512.631587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.631587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.233276 (E_RNA)
where:
Base-Base interactions energy: -346.591
where: short stacking energy: -144.784
Base-Backbone interact. energy: -1.098
local terms energy: -165.544213
where:
bonds (distance) C4'-P energy: -33.954
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -41.029
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: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -505.982255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.982255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.742540 (E_RNA)
where:
Base-Base interactions energy: -364.765
where: short stacking energy: -148.762
Base-Backbone interact. energy: -2.007
local terms energy: -139.969776
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -36.547
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -459.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.018273 (E_RNA)
where:
Base-Base interactions energy: -323.358
where: short stacking energy: -124.032
Base-Backbone interact. energy: -0.532
local terms energy: -136.128804
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -32.265
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: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -480.876149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.876149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.027626 (E_RNA)
where:
Base-Base interactions energy: -336.018
where: short stacking energy: -137.982
Base-Backbone interact. energy: -0.583
local terms energy: -144.426721
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -37.443
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: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -473.543147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.543147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.068849 (E_RNA)
where:
Base-Base interactions energy: -325.140
where: short stacking energy: -138.456
Base-Backbone interact. energy: 1.045
local terms energy: -149.973960
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -39.847
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -440.033119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.033119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.291544 (E_RNA)
where:
Base-Base interactions energy: -313.466
where: short stacking energy: -120.630
Base-Backbone interact. energy: 1.223
local terms energy: -129.048822
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 1.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -437.673681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.673681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.418433 (E_RNA)
where:
Base-Base interactions energy: -308.923
where: short stacking energy: -126.907
Base-Backbone interact. energy: 1.840
local terms energy: -132.335368
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -33.377
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -552.830172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.830172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.993651 (E_RNA)
where:
Base-Base interactions energy: -377.224
where: short stacking energy: -151.235
Base-Backbone interact. energy: -1.360
local terms energy: -174.410380
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: -42.338
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: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -537.432068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.432068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.625496 (E_RNA)
where:
Base-Base interactions energy: -373.315
where: short stacking energy: -143.576
Base-Backbone interact. energy: 1.417
local terms energy: -165.727694
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -36.453
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -39.951
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -519.721703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.721703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.185182 (E_RNA)
where:
Base-Base interactions energy: -359.858
where: short stacking energy: -130.620
Base-Backbone interact. energy: -1.241
local terms energy: -159.086010
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -43.626
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: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -511.889827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.889827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.157701 (E_RNA)
where:
Base-Base interactions energy: -358.966
where: short stacking energy: -153.888
Base-Backbone interact. energy: -1.365
local terms energy: -151.826504
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -40.033
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: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -501.518827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.518827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.711378 (E_RNA)
where:
Base-Base interactions energy: -346.169
where: short stacking energy: -130.715
Base-Backbone interact. energy: -0.400
local terms energy: -155.141980
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -34.429
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: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -493.374194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.556570 (E_RNA)
where:
Base-Base interactions energy: -349.232
where: short stacking energy: -147.239
Base-Backbone interact. energy: -1.075
local terms energy: -143.249663
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -37.905
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: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -445.760786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.760786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.339981 (E_RNA)
where:
Base-Base interactions energy: -306.616
where: short stacking energy: -114.495
Base-Backbone interact. energy: -0.129
local terms energy: -139.594071
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -31.308
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -461.064880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.064880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.806834 (E_RNA)
where:
Base-Base interactions energy: -320.141
where: short stacking energy: -127.812
Base-Backbone interact. energy: -0.936
local terms energy: -140.729616
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -38.164
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: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -451.513841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.513841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.766797 (E_RNA)
where:
Base-Base interactions energy: -315.279
where: short stacking energy: -129.409
Base-Backbone interact. energy: 2.029
local terms energy: -140.517403
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -33.556
Dist. restrs. and SS energy: 2.253 (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: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -454.566324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.566324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.139285 (E_RNA)
where:
Base-Base interactions energy: -319.083
where: short stacking energy: -117.396
Base-Backbone interact. energy: -1.028
local terms energy: -135.027633
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -30.445
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: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -539.335178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.335178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.739077 (E_RNA)
where:
Base-Base interactions energy: -375.526
where: short stacking energy: -146.423
Base-Backbone interact. energy: -1.818
local terms energy: -162.395184
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -40.035
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -34.867
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: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -536.722133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.722133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.023415 (E_RNA)
where:
Base-Base interactions energy: -374.268
where: short stacking energy: -146.476
Base-Backbone interact. energy: -0.490
local terms energy: -162.265333
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -40.671
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -524.933545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.933545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.623982 (E_RNA)
where:
Base-Base interactions energy: -359.568
where: short stacking energy: -146.183
Base-Backbone interact. energy: -0.005
local terms energy: -166.051069
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -44.069
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: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -519.373040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.373040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.234975 (E_RNA)
where:
Base-Base interactions energy: -359.253
where: short stacking energy: -150.949
Base-Backbone interact. energy: -0.446
local terms energy: -160.535758
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.862 (S_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: 106
Temperature: 1.100000
Total energy: -494.343986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.343986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.253723 (E_RNA)
where:
Base-Base interactions energy: -334.795
where: short stacking energy: -130.767
Base-Backbone interact. energy: -0.941
local terms energy: -159.518319
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -465.220802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.220802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.671399 (E_RNA)
where:
Base-Base interactions energy: -317.897
where: short stacking energy: -121.016
Base-Backbone interact. energy: -0.550
local terms energy: -147.224056
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -35.002
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: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -452.221823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.221823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.301564 (E_RNA)
where:
Base-Base interactions energy: -302.341
where: short stacking energy: -117.211
Base-Backbone interact. energy: -0.955
local terms energy: -149.004883
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -35.582
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: 106
Temperature: 1.250000
Total energy: -463.793824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.793824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.361470 (E_RNA)
where:
Base-Base interactions energy: -330.988
where: short stacking energy: -121.397
Base-Backbone interact. energy: 0.497
local terms energy: -133.870168
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -32.095
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -455.598441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.598441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.177254 (E_RNA)
where:
Base-Base interactions energy: -330.677
where: short stacking energy: -129.950
Base-Backbone interact. energy: -0.161
local terms energy: -125.339317
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -35.503
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: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -427.364344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.364344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.051356 (E_RNA)
where:
Base-Base interactions energy: -283.869
where: short stacking energy: -111.969
Base-Backbone interact. energy: 1.861
local terms energy: -146.043104
where:
bonds (distance) C4'-P energy: -35.346
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -32.994
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: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -537.025777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.025777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.382643 (E_RNA)
where:
Base-Base interactions energy: -364.165
where: short stacking energy: -146.133
Base-Backbone interact. energy: -1.527
local terms energy: -171.690401
where:
bonds (distance) C4'-P energy: -38.927
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -40.244
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -540.590808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.590808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.973831 (E_RNA)
where:
Base-Base interactions energy: -364.909
where: short stacking energy: -156.287
Base-Backbone interact. energy: -1.670
local terms energy: -174.395372
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -50.365
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: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -538.066573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.066573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.598812 (E_RNA)
where:
Base-Base interactions energy: -370.101
where: short stacking energy: -158.420
Base-Backbone interact. energy: -0.754
local terms energy: -167.743824
where:
bonds (distance) C4'-P energy: -31.655
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -42.908
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -531.617168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.617168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.034838 (E_RNA)
where:
Base-Base interactions energy: -358.911
where: short stacking energy: -158.133
Base-Backbone interact. energy: -0.438
local terms energy: -172.685935
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -43.567
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -499.756590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.756590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.129548 (E_RNA)
where:
Base-Base interactions energy: -332.885
where: short stacking energy: -132.589
Base-Backbone interact. energy: -1.336
local terms energy: -165.907765
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -43.874
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: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -473.992416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.992416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.806564 (E_RNA)
where:
Base-Base interactions energy: -316.922
where: short stacking energy: -134.320
Base-Backbone interact. energy: -0.229
local terms energy: -157.655999
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -38.358
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -457.244766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.244766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.426136 (E_RNA)
where:
Base-Base interactions energy: -315.547
where: short stacking energy: -126.177
Base-Backbone interact. energy: -0.523
local terms energy: -142.356723
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -34.129
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -462.223258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.223258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.619345 (E_RNA)
where:
Base-Base interactions energy: -325.296
where: short stacking energy: -124.168
Base-Backbone interact. energy: -0.330
local terms energy: -136.993719
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -26.581
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -449.950829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.950829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.197461 (E_RNA)
where:
Base-Base interactions energy: -316.055
where: short stacking energy: -121.232
Base-Backbone interact. energy: -0.793
local terms energy: -133.349886
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -33.009
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -394.204316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.204316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.850027 (E_RNA)
where:
Base-Base interactions energy: -267.280
where: short stacking energy: -105.281
Base-Backbone interact. energy: -2.487
local terms energy: -125.083076
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -550.771544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.771544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.885963 (E_RNA)
where:
Base-Base interactions energy: -384.364
where: short stacking energy: -156.180
Base-Backbone interact. energy: -0.666
local terms energy: -165.856226
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -36.772
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: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -533.817070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.817070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.664124 (E_RNA)
where:
Base-Base interactions energy: -372.006
where: short stacking energy: -149.810
Base-Backbone interact. energy: 0.565
local terms energy: -163.223324
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -43.682
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: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -526.206116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.206116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.772457 (E_RNA)
where:
Base-Base interactions energy: -375.689
where: short stacking energy: -140.538
Base-Backbone interact. energy: -1.258
local terms energy: -149.824982
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -37.366
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -505.780397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.780397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.871425 (E_RNA)
where:
Base-Base interactions energy: -345.601
where: short stacking energy: -146.048
Base-Backbone interact. energy: 1.033
local terms energy: -161.303659
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -32.082
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -492.752646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.752646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.930370 (E_RNA)
where:
Base-Base interactions energy: -326.489
where: short stacking energy: -132.314
Base-Backbone interact. energy: 1.143
local terms energy: -167.584959
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -29.069
tors. eta vs tors. theta energy: -34.592
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -461.053475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.053475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.557518 (E_RNA)
where:
Base-Base interactions energy: -318.928
where: short stacking energy: -138.762
Base-Backbone interact. energy: -0.317
local terms energy: -142.312340
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -34.671
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -452.401631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.401631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.935956 (E_RNA)
where:
Base-Base interactions energy: -322.196
where: short stacking energy: -116.607
Base-Backbone interact. energy: 0.833
local terms energy: -131.572849
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -30.223
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: 108
Temperature: 1.250000
Total energy: -449.964275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.964275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.260121 (E_RNA)
where:
Base-Base interactions energy: -301.986
where: short stacking energy: -110.822
Base-Backbone interact. energy: -0.529
local terms energy: -147.744620
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -34.865
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -417.677126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.677126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.205794 (E_RNA)
where:
Base-Base interactions energy: -286.983
where: short stacking energy: -123.377
Base-Backbone interact. energy: -0.335
local terms energy: -131.887182
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -32.642
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -424.917917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.917917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.550810 (E_RNA)
where:
Base-Base interactions energy: -288.863
where: short stacking energy: -105.804
Base-Backbone interact. energy: -0.651
local terms energy: -136.036764
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -34.698
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -539.424243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.424243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.726138 (E_RNA)
where:
Base-Base interactions energy: -372.929
where: short stacking energy: -149.830
Base-Backbone interact. energy: -0.498
local terms energy: -166.299663
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -35.010
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -548.275042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.275042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.590322 (E_RNA)
where:
Base-Base interactions energy: -374.949
where: short stacking energy: -156.964
Base-Backbone interact. energy: -2.332
local terms energy: -171.308948
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -37.428
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -44.877
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: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -520.544301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.544301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.070504 (E_RNA)
where:
Base-Base interactions energy: -361.695
where: short stacking energy: -148.240
Base-Backbone interact. energy: -0.092
local terms energy: -160.283734
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -40.456
Dist. restrs. and SS energy: 1.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -500.915931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.915931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.558776 (E_RNA)
where:
Base-Base interactions energy: -347.191
where: short stacking energy: -140.200
Base-Backbone interact. energy: -0.556
local terms energy: -153.811841
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -37.671
Dist. restrs. and SS energy: 0.643 (S_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: 109
Temperature: 1.100000
Total energy: -503.447188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.447188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.543443 (E_RNA)
where:
Base-Base interactions energy: -340.911
where: short stacking energy: -136.449
Base-Backbone interact. energy: -2.281
local terms energy: -160.351355
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -38.936
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: 109
Temperature: 1.150000
Total energy: -477.888880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.888880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.653574 (E_RNA)
where:
Base-Base interactions energy: -327.879
where: short stacking energy: -135.397
Base-Backbone interact. energy: 1.056
local terms energy: -151.830724
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -35.780
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -449.874658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.874658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.249675 (E_RNA)
where:
Base-Base interactions energy: -298.472
where: short stacking energy: -119.348
Base-Backbone interact. energy: -0.782
local terms energy: -150.995790
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -36.930
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: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -452.685882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.685882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.571926 (E_RNA)
where:
Base-Base interactions energy: -301.083
where: short stacking energy: -117.216
Base-Backbone interact. energy: -1.891
local terms energy: -150.597729
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -455.820158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.820158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.723870 (E_RNA)
where:
Base-Base interactions energy: -308.608
where: short stacking energy: -120.296
Base-Backbone interact. energy: -1.332
local terms energy: -147.783915
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -36.947
Dist. restrs. and SS energy: 1.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -417.035964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.035964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.755337 (E_RNA)
where:
Base-Base interactions energy: -285.494
where: short stacking energy: -98.242
Base-Backbone interact. energy: -0.486
local terms energy: -131.774852
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -24.461
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -550.146615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.146615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.753853 (E_RNA)
where:
Base-Base interactions energy: -367.585
where: short stacking energy: -155.839
Base-Backbone interact. energy: -0.293
local terms energy: -182.876280
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -44.422
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: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -519.502643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.502643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.826085 (E_RNA)
where:
Base-Base interactions energy: -361.876
where: short stacking energy: -131.972
Base-Backbone interact. energy: -1.212
local terms energy: -156.737978
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: -34.215
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: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -530.377791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.377791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.750601 (E_RNA)
where:
Base-Base interactions energy: -352.009
where: short stacking energy: -140.503
Base-Backbone interact. energy: -3.130
local terms energy: -175.611466
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -38.948
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -45.505
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: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -509.682830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.682830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.393492 (E_RNA)
where:
Base-Base interactions energy: -351.089
where: short stacking energy: -145.842
Base-Backbone interact. energy: 3.597
local terms energy: -162.901373
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -38.828
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: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -492.987119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.987119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.219668 (E_RNA)
where:
Base-Base interactions energy: -340.085
where: short stacking energy: -140.020
Base-Backbone interact. energy: -2.680
local terms energy: -150.454368
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -35.556
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: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -476.525413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.525413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.978886 (E_RNA)
where:
Base-Base interactions energy: -342.874
where: short stacking energy: -133.259
Base-Backbone interact. energy: -1.315
local terms energy: -132.789777
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -36.308
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -445.200469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.200469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.838550 (E_RNA)
where:
Base-Base interactions energy: -300.995
where: short stacking energy: -120.305
Base-Backbone interact. energy: -1.336
local terms energy: -143.507709
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -35.149
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: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -450.451483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.451483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.737081 (E_RNA)
where:
Base-Base interactions energy: -314.019
where: short stacking energy: -130.945
Base-Backbone interact. energy: -1.027
local terms energy: -136.690534
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 1.286 (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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -444.229148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.229148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.350100 (E_RNA)
where:
Base-Base interactions energy: -324.929
where: short stacking energy: -118.465
Base-Backbone interact. energy: -0.796
local terms energy: -119.625808
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -34.227
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -420.997015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.997015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.136987 (E_RNA)
where:
Base-Base interactions energy: -297.011
where: short stacking energy: -116.861
Base-Backbone interact. energy: -0.951
local terms energy: -124.175068
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -552.375328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.375328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.957812 (E_RNA)
where:
Base-Base interactions energy: -377.397
where: short stacking energy: -154.446
Base-Backbone interact. energy: -0.258
local terms energy: -175.303139
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -44.392
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: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -541.180315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.180315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.256348 (E_RNA)
where:
Base-Base interactions energy: -375.020
where: short stacking energy: -155.850
Base-Backbone interact. energy: -0.250
local terms energy: -165.986079
where:
bonds (distance) C4'-P energy: -30.712
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -536.492199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.492199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.666132 (E_RNA)
where:
Base-Base interactions energy: -375.127
where: short stacking energy: -139.863
Base-Backbone interact. energy: -0.323
local terms energy: -161.215764
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -34.063
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: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -508.834184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.834184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.960937 (E_RNA)
where:
Base-Base interactions energy: -352.114
where: short stacking energy: -143.940
Base-Backbone interact. energy: 0.643
local terms energy: -157.489795
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -40.449
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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -511.513036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.513036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.969283 (E_RNA)
where:
Base-Base interactions energy: -351.422
where: short stacking energy: -146.508
Base-Backbone interact. energy: -0.721
local terms energy: -159.825595
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -36.449
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -43.429
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: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -480.801134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.801134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.267849 (E_RNA)
where:
Base-Base interactions energy: -348.114
where: short stacking energy: -140.239
Base-Backbone interact. energy: -0.593
local terms energy: -132.560822
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -38.906
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: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -442.479475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.479475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.734458 (E_RNA)
where:
Base-Base interactions energy: -303.408
where: short stacking energy: -119.324
Base-Backbone interact. energy: -0.479
local terms energy: -138.848102
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -27.778
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -35.832
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: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -456.329907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.329907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.162163 (E_RNA)
where:
Base-Base interactions energy: -340.321
where: short stacking energy: -125.227
Base-Backbone interact. energy: -0.880
local terms energy: -115.960898
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -34.120
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: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -445.788349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.788349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.402554 (E_RNA)
where:
Base-Base interactions energy: -327.019
where: short stacking energy: -120.187
Base-Backbone interact. energy: -0.379
local terms energy: -119.005085
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -20.498
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: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -439.015576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.015576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.856006 (E_RNA)
where:
Base-Base interactions energy: -300.303
where: short stacking energy: -111.915
Base-Backbone interact. energy: 1.072
local terms energy: -140.624631
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -33.282
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -554.152300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.152300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.854119 (E_RNA)
where:
Base-Base interactions energy: -373.577
where: short stacking energy: -163.232
Base-Backbone interact. energy: -1.320
local terms energy: -179.956276
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -36.569
flat angles C4'-P-C4' energy: -40.578
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -47.590
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: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -537.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.018677 (E_RNA)
where:
Base-Base interactions energy: -364.451
where: short stacking energy: -151.433
Base-Backbone interact. energy: 0.249
local terms energy: -173.817082
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -45.163
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -509.340202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.340202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.593275 (E_RNA)
where:
Base-Base interactions energy: -361.849
where: short stacking energy: -144.290
Base-Backbone interact. energy: -1.358
local terms energy: -146.385569
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -33.421
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -42.897
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -509.681045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.681045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.106705 (E_RNA)
where:
Base-Base interactions energy: -356.996
where: short stacking energy: -130.605
Base-Backbone interact. energy: 1.242
local terms energy: -154.352178
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -35.062
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: 112
Temperature: 1.100000
Total energy: -493.699625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.699625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.007126 (E_RNA)
where:
Base-Base interactions energy: -339.461
where: short stacking energy: -134.855
Base-Backbone interact. energy: -1.483
local terms energy: -153.063352
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -37.331
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: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -498.148538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.148538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.662911 (E_RNA)
where:
Base-Base interactions energy: -334.860
where: short stacking energy: -131.609
Base-Backbone interact. energy: -0.566
local terms energy: -163.236757
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: -41.689
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: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -492.460697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.460697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.834938 (E_RNA)
where:
Base-Base interactions energy: -349.868
where: short stacking energy: -128.463
Base-Backbone interact. energy: -0.196
local terms energy: -142.770576
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -41.043
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -457.151804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.151804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.761042 (E_RNA)
where:
Base-Base interactions energy: -322.257
where: short stacking energy: -135.235
Base-Backbone interact. energy: -0.305
local terms energy: -135.198972
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -36.290
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: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -454.306620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.306620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.959651 (E_RNA)
where:
Base-Base interactions energy: -311.966
where: short stacking energy: -123.344
Base-Backbone interact. energy: 0.688
local terms energy: -143.682536
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -422.444914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.444914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.761381 (E_RNA)
where:
Base-Base interactions energy: -292.155
where: short stacking energy: -107.159
Base-Backbone interact. energy: -1.665
local terms energy: -128.941732
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -25.584
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: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -543.185581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.185581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.633457 (E_RNA)
where:
Base-Base interactions energy: -382.536
where: short stacking energy: -150.314
Base-Backbone interact. energy: -0.949
local terms energy: -160.148152
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -46.529
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: 113
Temperature: 0.950000
Total energy: -530.452063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.452063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.769025 (E_RNA)
where:
Base-Base interactions energy: -365.395
where: short stacking energy: -138.397
Base-Backbone interact. energy: -0.485
local terms energy: -164.889141
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -40.145
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -512.375002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.375002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.439703 (E_RNA)
where:
Base-Base interactions energy: -348.805
where: short stacking energy: -136.366
Base-Backbone interact. energy: 1.023
local terms energy: -164.657947
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -36.631
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: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -506.323827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.323827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.584272 (E_RNA)
where:
Base-Base interactions energy: -359.743
where: short stacking energy: -138.249
Base-Backbone interact. energy: -1.315
local terms energy: -145.525820
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -35.456
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -31.996
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -502.444391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.444391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.182718 (E_RNA)
where:
Base-Base interactions energy: -344.686
where: short stacking energy: -141.400
Base-Backbone interact. energy: -0.832
local terms energy: -157.664176
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -32.491
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -38.374
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -497.514684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.514684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.478627 (E_RNA)
where:
Base-Base interactions energy: -336.208
where: short stacking energy: -138.016
Base-Backbone interact. energy: -0.457
local terms energy: -161.813393
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -40.203
Dist. restrs. and SS energy: 0.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -489.131406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.131406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.365045 (E_RNA)
where:
Base-Base interactions energy: -336.944
where: short stacking energy: -129.430
Base-Backbone interact. energy: -0.592
local terms energy: -151.828923
where:
bonds (distance) C4'-P energy: -33.896
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -43.035
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: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -442.409561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.409561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.807632 (E_RNA)
where:
Base-Base interactions energy: -298.594
where: short stacking energy: -114.739
Base-Backbone interact. energy: -0.587
local terms energy: -143.626884
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -36.478
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: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -422.053380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.053380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.667778 (E_RNA)
where:
Base-Base interactions energy: -301.636
where: short stacking energy: -109.518
Base-Backbone interact. energy: -0.257
local terms energy: -120.774929
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -25.717
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: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -420.437272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.437272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.390997 (E_RNA)
where:
Base-Base interactions energy: -297.262
where: short stacking energy: -108.809
Base-Backbone interact. energy: -0.698
local terms energy: -123.430994
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -563.118844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.118844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.172860 (E_RNA)
where:
Base-Base interactions energy: -377.359
where: short stacking energy: -161.325
Base-Backbone interact. energy: -1.052
local terms energy: -185.762736
where:
bonds (distance) C4'-P energy: -34.163
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -38.724
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -47.309
Dist. restrs. and SS energy: 1.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -559.941735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.941735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.780272 (E_RNA)
where:
Base-Base interactions energy: -384.022
where: short stacking energy: -157.204
Base-Backbone interact. energy: -0.214
local terms energy: -176.543909
where:
bonds (distance) C4'-P energy: -35.155
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -517.132690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.132690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.475942 (E_RNA)
where:
Base-Base interactions energy: -358.354
where: short stacking energy: -153.457
Base-Backbone interact. energy: -0.764
local terms energy: -158.358109
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -42.536
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -520.911444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.911444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.316157 (E_RNA)
where:
Base-Base interactions energy: -361.766
where: short stacking energy: -139.901
Base-Backbone interact. energy: -0.723
local terms energy: -158.827923
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -41.236
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: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -511.538229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.538229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.169990 (E_RNA)
where:
Base-Base interactions energy: -351.963
where: short stacking energy: -147.610
Base-Backbone interact. energy: -0.939
local terms energy: -159.268087
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -43.557
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: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -494.237645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.237645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.570992 (E_RNA)
where:
Base-Base interactions energy: -334.754
where: short stacking energy: -138.088
Base-Backbone interact. energy: -1.610
local terms energy: -158.206791
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -37.840
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -476.722467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.722467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.258927 (E_RNA)
where:
Base-Base interactions energy: -341.267
where: short stacking energy: -131.329
Base-Backbone interact. energy: -1.447
local terms energy: -134.545131
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -31.376
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: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -459.924124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.924124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.160804 (E_RNA)
where:
Base-Base interactions energy: -323.397
where: short stacking energy: -129.181
Base-Backbone interact. energy: 1.012
local terms energy: -137.775576
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -38.681
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: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -426.475064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.475064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.561849 (E_RNA)
where:
Base-Base interactions energy: -299.212
where: short stacking energy: -110.944
Base-Backbone interact. energy: -1.191
local terms energy: -126.158812
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -419.889461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.889461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.500767 (E_RNA)
where:
Base-Base interactions energy: -292.876
where: short stacking energy: -125.506
Base-Backbone interact. energy: 0.052
local terms energy: -127.676337
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -27.966
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: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -547.462684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.462684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.744007 (E_RNA)
where:
Base-Base interactions energy: -377.420
where: short stacking energy: -155.678
Base-Backbone interact. energy: 0.725
local terms energy: -171.049212
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -41.233
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -44.894
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -517.962124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.962124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.225273 (E_RNA)
where:
Base-Base interactions energy: -362.374
where: short stacking energy: -145.441
Base-Backbone interact. energy: -0.101
local terms energy: -155.750617
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -37.591
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -40.288
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -537.334649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.334649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.820916 (E_RNA)
where:
Base-Base interactions energy: -373.081
where: short stacking energy: -145.284
Base-Backbone interact. energy: -1.156
local terms energy: -163.583535
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -46.616
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: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -510.893789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.893789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.438535 (E_RNA)
where:
Base-Base interactions energy: -349.881
where: short stacking energy: -139.530
Base-Backbone interact. energy: -1.307
local terms energy: -160.250647
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -45.605
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: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -497.961458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.961458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.306328 (E_RNA)
where:
Base-Base interactions energy: -338.107
where: short stacking energy: -135.935
Base-Backbone interact. energy: -0.588
local terms energy: -159.611916
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -36.994
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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -515.489141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.489141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.773090 (E_RNA)
where:
Base-Base interactions energy: -348.339
where: short stacking energy: -138.305
Base-Backbone interact. energy: -2.168
local terms energy: -166.266365
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -35.593
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -490.986060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.986060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.531816 (E_RNA)
where:
Base-Base interactions energy: -346.681
where: short stacking energy: -135.785
Base-Backbone interact. energy: -0.573
local terms energy: -144.277392
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -36.600
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: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -477.856105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.856105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.475210 (E_RNA)
where:
Base-Base interactions energy: -347.646
where: short stacking energy: -137.276
Base-Backbone interact. energy: 1.435
local terms energy: -132.263365
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -37.969
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: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -441.387477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.387477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.841500 (E_RNA)
where:
Base-Base interactions energy: -313.969
where: short stacking energy: -132.502
Base-Backbone interact. energy: -0.152
local terms energy: -127.720558
where:
bonds (distance) C4'-P energy: -32.339
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -38.175
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: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -400.624236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.877082 (E_RNA)
where:
Base-Base interactions energy: -277.143
where: short stacking energy: -92.721
Base-Backbone interact. energy: -2.250
local terms energy: -121.484171
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -28.048
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: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -559.499187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.499187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.869107 (E_RNA)
where:
Base-Base interactions energy: -381.807
where: short stacking energy: -157.744
Base-Backbone interact. energy: -0.850
local terms energy: -177.212870
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -47.904
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -519.609691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.609691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.776153 (E_RNA)
where:
Base-Base interactions energy: -350.857
where: short stacking energy: -135.589
Base-Backbone interact. energy: -0.488
local terms energy: -168.430910
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -37.508
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: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -520.750675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.174731 (E_RNA)
where:
Base-Base interactions energy: -350.001
where: short stacking energy: -138.078
Base-Backbone interact. energy: -2.684
local terms energy: -168.489417
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -36.365
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -45.920
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -517.314986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.314986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.652323 (E_RNA)
where:
Base-Base interactions energy: -352.556
where: short stacking energy: -147.470
Base-Backbone interact. energy: -1.405
local terms energy: -163.691799
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -42.566
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -487.468134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.468134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.134545 (E_RNA)
where:
Base-Base interactions energy: -337.087
where: short stacking energy: -133.205
Base-Backbone interact. energy: 0.577
local terms energy: -151.623971
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -36.398
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -497.874050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.874050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.327671 (E_RNA)
where:
Base-Base interactions energy: -352.256
where: short stacking energy: -146.092
Base-Backbone interact. energy: -0.674
local terms energy: -145.397640
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -40.393
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: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -475.257967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.257967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.614015 (E_RNA)
where:
Base-Base interactions energy: -317.645
where: short stacking energy: -126.863
Base-Backbone interact. energy: 0.683
local terms energy: -158.651922
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -39.372
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -441.002559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.002559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.141130 (E_RNA)
where:
Base-Base interactions energy: -305.763
where: short stacking energy: -127.521
Base-Backbone interact. energy: 0.041
local terms energy: -136.419419
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -34.119
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -431.868341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.868341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.360878 (E_RNA)
where:
Base-Base interactions energy: -304.294
where: short stacking energy: -109.451
Base-Backbone interact. energy: -1.266
local terms energy: -126.800428
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -33.458
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -22.260
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: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -414.127203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.127203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.988811 (E_RNA)
where:
Base-Base interactions energy: -287.500
where: short stacking energy: -100.155
Base-Backbone interact. energy: -1.517
local terms energy: -125.972002
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.862 (S_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: 117
Temperature: 0.900000
Total energy: -545.500795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.500795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.613004 (E_RNA)
where:
Base-Base interactions energy: -369.021
where: short stacking energy: -156.784
Base-Backbone interact. energy: 2.174
local terms energy: -178.765148
where:
bonds (distance) C4'-P energy: -39.342
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -42.688
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -43.006
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: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -543.322512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.322512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.073333 (E_RNA)
where:
Base-Base interactions energy: -372.666
where: short stacking energy: -149.712
Base-Backbone interact. energy: -1.366
local terms energy: -170.042206
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -45.457
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: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -498.561710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.561710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.982190 (E_RNA)
where:
Base-Base interactions energy: -343.254
where: short stacking energy: -142.605
Base-Backbone interact. energy: -0.487
local terms energy: -155.241390
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -39.887
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: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -526.049824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.049824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.826858 (E_RNA)
where:
Base-Base interactions energy: -365.667
where: short stacking energy: -153.970
Base-Backbone interact. energy: 0.549
local terms energy: -161.708653
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -40.646
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -504.654636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.654636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.986009 (E_RNA)
where:
Base-Base interactions energy: -343.814
where: short stacking energy: -127.743
Base-Backbone interact. energy: -0.858
local terms energy: -160.314133
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -38.136
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: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -486.367988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.367988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.351292 (E_RNA)
where:
Base-Base interactions energy: -336.048
where: short stacking energy: -131.830
Base-Backbone interact. energy: -0.378
local terms energy: -150.925148
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -40.840
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -475.417583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.417583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.012567 (E_RNA)
where:
Base-Base interactions energy: -338.161
where: short stacking energy: -135.985
Base-Backbone interact. energy: -1.180
local terms energy: -136.671587
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -461.086943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.086943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.703042 (E_RNA)
where:
Base-Base interactions energy: -323.509
where: short stacking energy: -133.096
Base-Backbone interact. energy: -0.360
local terms energy: -137.834073
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -32.126
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -422.621016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.621016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.379224 (E_RNA)
where:
Base-Base interactions energy: -295.221
where: short stacking energy: -106.672
Base-Backbone interact. energy: -0.580
local terms energy: -127.577339
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -19.362
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: 117
Temperature: 1.350000
Total energy: -424.265282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.265282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.565394 (E_RNA)
where:
Base-Base interactions energy: -279.491
where: short stacking energy: -111.371
Base-Backbone interact. energy: -0.745
local terms energy: -145.329460
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -566.006249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.006249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.282880 (E_RNA)
where:
Base-Base interactions energy: -382.232
where: short stacking energy: -153.426
Base-Backbone interact. energy: -0.200
local terms energy: -183.851450
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -47.186
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: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -537.397170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.397170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.691885 (E_RNA)
where:
Base-Base interactions energy: -368.067
where: short stacking energy: -152.415
Base-Backbone interact. energy: -0.072
local terms energy: -169.552701
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -51.045
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: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -537.220892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.220892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.510106 (E_RNA)
where:
Base-Base interactions energy: -369.018
where: short stacking energy: -152.305
Base-Backbone interact. energy: -1.043
local terms energy: -167.449250
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -45.353
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: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -501.054658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.054658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.516909 (E_RNA)
where:
Base-Base interactions energy: -339.709
where: short stacking energy: -137.560
Base-Backbone interact. energy: -2.108
local terms energy: -159.699415
where:
bonds (distance) C4'-P energy: -32.506
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -40.336
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: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -508.148249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.148249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.448326 (E_RNA)
where:
Base-Base interactions energy: -349.402
where: short stacking energy: -132.860
Base-Backbone interact. energy: 0.811
local terms energy: -159.857073
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -36.228
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -39.946
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: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -504.353361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.353361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.599426 (E_RNA)
where:
Base-Base interactions energy: -350.935
where: short stacking energy: -133.592
Base-Backbone interact. energy: 0.113
local terms energy: -153.777314
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -36.253
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -464.072419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.072419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.640286 (E_RNA)
where:
Base-Base interactions energy: -320.528
where: short stacking energy: -124.878
Base-Backbone interact. energy: 1.986
local terms energy: -146.098909
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -34.159
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -31.484
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -456.728966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.728966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.075798 (E_RNA)
where:
Base-Base interactions energy: -325.616
where: short stacking energy: -136.769
Base-Backbone interact. energy: -0.347
local terms energy: -131.113411
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -31.277
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: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -436.937408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.937408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.026526 (E_RNA)
where:
Base-Base interactions energy: -305.202
where: short stacking energy: -124.709
Base-Backbone interact. energy: 0.361
local terms energy: -133.185632
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -427.661254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.661254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.853752 (E_RNA)
where:
Base-Base interactions energy: -296.225
where: short stacking energy: -101.141
Base-Backbone interact. energy: 3.351
local terms energy: -134.979603
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -20.873
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: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -543.483514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.483514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.425440 (E_RNA)
where:
Base-Base interactions energy: -371.679
where: short stacking energy: -150.167
Base-Backbone interact. energy: -1.387
local terms energy: -171.359492
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -548.296536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.296536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.587795 (E_RNA)
where:
Base-Base interactions energy: -377.390
where: short stacking energy: -154.974
Base-Backbone interact. energy: -1.634
local terms energy: -169.564023
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -46.055
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -533.533237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.533237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.194057 (E_RNA)
where:
Base-Base interactions energy: -355.996
where: short stacking energy: -148.871
Base-Backbone interact. energy: 0.797
local terms energy: -178.994647
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -26.484
tors. eta vs tors. theta energy: -44.821
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: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -507.308207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.308207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.774419 (E_RNA)
where:
Base-Base interactions energy: -347.042
where: short stacking energy: -148.703
Base-Backbone interact. energy: -0.920
local terms energy: -159.812688
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -33.131
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -43.725
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: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -479.589125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.589125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.903057 (E_RNA)
where:
Base-Base interactions energy: -321.217
where: short stacking energy: -126.373
Base-Backbone interact. energy: -1.691
local terms energy: -156.994898
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -36.648
flat angles C4'-P-C4' energy: -31.839
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -35.095
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -506.408690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.408690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.873894 (E_RNA)
where:
Base-Base interactions energy: -348.491
where: short stacking energy: -142.665
Base-Backbone interact. energy: -0.724
local terms energy: -157.658720
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -43.426
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: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -469.714669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.714669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.050723 (E_RNA)
where:
Base-Base interactions energy: -323.387
where: short stacking energy: -128.402
Base-Backbone interact. energy: -1.318
local terms energy: -145.346550
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -37.270
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: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -458.791234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.791234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.605369 (E_RNA)
where:
Base-Base interactions energy: -309.795
where: short stacking energy: -127.023
Base-Backbone interact. energy: 0.291
local terms energy: -150.101793
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -36.553
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -34.401
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -448.091390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.651224 (E_RNA)
where:
Base-Base interactions energy: -309.252
where: short stacking energy: -120.309
Base-Backbone interact. energy: -0.923
local terms energy: -138.477064
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -30.394
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: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -429.740545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.740545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.201395 (E_RNA)
where:
Base-Base interactions energy: -296.779
where: short stacking energy: -111.611
Base-Backbone interact. energy: -0.270
local terms energy: -134.152283
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 1.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -550.129003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.129003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.778128 (E_RNA)
where:
Base-Base interactions energy: -384.922
where: short stacking energy: -157.457
Base-Backbone interact. energy: -0.931
local terms energy: -164.925157
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -44.303
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: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -541.358340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.358340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.598197 (E_RNA)
where:
Base-Base interactions energy: -367.364
where: short stacking energy: -152.877
Base-Backbone interact. energy: -0.967
local terms energy: -173.266786
where:
bonds (distance) C4'-P energy: -38.835
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -46.182
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: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -538.523329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.523329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.826171 (E_RNA)
where:
Base-Base interactions energy: -366.665
where: short stacking energy: -161.228
Base-Backbone interact. energy: -1.981
local terms energy: -170.180698
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -43.355
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -500.232068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.232068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.810040 (E_RNA)
where:
Base-Base interactions energy: -349.307
where: short stacking energy: -129.980
Base-Backbone interact. energy: -0.632
local terms energy: -150.870400
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -34.998
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: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -523.741151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.741151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.528091 (E_RNA)
where:
Base-Base interactions energy: -364.670
where: short stacking energy: -146.541
Base-Backbone interact. energy: 0.515
local terms energy: -160.373286
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -38.547
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -41.533
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -481.466162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.466162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.601211 (E_RNA)
where:
Base-Base interactions energy: -332.445
where: short stacking energy: -125.964
Base-Backbone interact. energy: -0.547
local terms energy: -148.609103
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -32.436
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: 120
Temperature: 1.200000
Total energy: -464.612017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.612017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.958890 (E_RNA)
where:
Base-Base interactions energy: -318.556
where: short stacking energy: -133.768
Base-Backbone interact. energy: -0.796
local terms energy: -145.606728
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -30.986
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -472.264835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.264835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.717693 (E_RNA)
where:
Base-Base interactions energy: -323.489
where: short stacking energy: -122.515
Base-Backbone interact. energy: -0.532
local terms energy: -148.696343
where:
bonds (distance) C4'-P energy: -29.740
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -36.368
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: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -442.442916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.442916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.912902 (E_RNA)
where:
Base-Base interactions energy: -306.082
where: short stacking energy: -131.030
Base-Backbone interact. energy: -0.985
local terms energy: -135.845205
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -38.213
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: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -426.345597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.449005 (E_RNA)
where:
Base-Base interactions energy: -302.370
where: short stacking energy: -107.758
Base-Backbone interact. energy: -0.264
local terms energy: -123.815298
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -548.654325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.654325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.138050 (E_RNA)
where:
Base-Base interactions energy: -383.268
where: short stacking energy: -159.897
Base-Backbone interact. energy: -0.456
local terms energy: -165.413878
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -47.202
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: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -528.282348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.282348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.848227 (E_RNA)
where:
Base-Base interactions energy: -360.548
where: short stacking energy: -140.609
Base-Backbone interact. energy: 0.871
local terms energy: -169.171296
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -39.130
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -41.699
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -520.952874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.952874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.566313 (E_RNA)
where:
Base-Base interactions energy: -359.584
where: short stacking energy: -147.952
Base-Backbone interact. energy: -0.637
local terms energy: -161.345464
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -41.462
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: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -524.695433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.695433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.100482 (E_RNA)
where:
Base-Base interactions energy: -363.605
where: short stacking energy: -142.023
Base-Backbone interact. energy: -1.552
local terms energy: -160.943446
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -41.809
Dist. restrs. and SS energy: 1.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -499.569174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.569174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.981533 (E_RNA)
where:
Base-Base interactions energy: -343.029
where: short stacking energy: -142.739
Base-Backbone interact. energy: -0.856
local terms energy: -156.096554
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -40.653
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -495.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.315402 (E_RNA)
where:
Base-Base interactions energy: -348.141
where: short stacking energy: -144.238
Base-Backbone interact. energy: -0.168
local terms energy: -148.006686
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -36.601
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: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -476.449882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.449882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.988689 (E_RNA)
where:
Base-Base interactions energy: -336.629
where: short stacking energy: -125.664
Base-Backbone interact. energy: -0.830
local terms energy: -139.529820
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -30.859
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -462.619532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.619532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.660394 (E_RNA)
where:
Base-Base interactions energy: -319.588
where: short stacking energy: -120.048
Base-Backbone interact. energy: -1.955
local terms energy: -142.117943
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -32.817
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -458.321582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.321582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.547358 (E_RNA)
where:
Base-Base interactions energy: -316.235
where: short stacking energy: -132.979
Base-Backbone interact. energy: -1.342
local terms energy: -141.969972
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -32.587
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -432.139756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.139756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.803626 (E_RNA)
where:
Base-Base interactions energy: -309.602
where: short stacking energy: -116.041
Base-Backbone interact. energy: -0.356
local terms energy: -122.845892
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.664 (S_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: 122
Temperature: 0.900000
Total energy: -549.320837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.320837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.879754 (E_RNA)
where:
Base-Base interactions energy: -386.850
where: short stacking energy: -154.130
Base-Backbone interact. energy: -0.180
local terms energy: -162.849646
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -43.724
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: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -546.888969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.688553 (E_RNA)
where:
Base-Base interactions energy: -376.476
where: short stacking energy: -149.379
Base-Backbone interact. energy: -0.311
local terms energy: -170.900935
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -37.637
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: 0.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -529.898022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.898022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.167297 (E_RNA)
where:
Base-Base interactions energy: -368.405
where: short stacking energy: -146.507
Base-Backbone interact. energy: -0.530
local terms energy: -161.232257
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -508.933447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.933447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.659319 (E_RNA)
where:
Base-Base interactions energy: -341.433
where: short stacking energy: -140.699
Base-Backbone interact. energy: -1.267
local terms energy: -166.958844
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -45.090
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: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -510.371113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.371113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.567577 (E_RNA)
where:
Base-Base interactions energy: -345.034
where: short stacking energy: -140.845
Base-Backbone interact. energy: -0.211
local terms energy: -165.322261
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -35.170
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -46.286
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -473.431673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.431673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.679488 (E_RNA)
where:
Base-Base interactions energy: -325.867
where: short stacking energy: -132.026
Base-Backbone interact. energy: 1.109
local terms energy: -148.921226
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -33.989
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: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -470.366734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.366734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.805137 (E_RNA)
where:
Base-Base interactions energy: -322.038
where: short stacking energy: -123.886
Base-Backbone interact. energy: -1.737
local terms energy: -147.029838
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -36.495
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: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -460.088573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.088573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.373521 (E_RNA)
where:
Base-Base interactions energy: -321.147
where: short stacking energy: -124.255
Base-Backbone interact. energy: -1.097
local terms energy: -138.129061
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -30.337
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: 122
Temperature: 1.300000
Total energy: -431.542816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.542816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.020215 (E_RNA)
where:
Base-Base interactions energy: -293.433
where: short stacking energy: -112.563
Base-Backbone interact. energy: -0.544
local terms energy: -142.043221
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -30.761
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -35.942
Dist. restrs. and SS energy: 4.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -447.177527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.177527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.590100 (E_RNA)
where:
Base-Base interactions energy: -314.454
where: short stacking energy: -118.367
Base-Backbone interact. energy: 0.179
local terms energy: -133.314437
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -34.730
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: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -549.566930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.566930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.009559 (E_RNA)
where:
Base-Base interactions energy: -377.681
where: short stacking energy: -146.608
Base-Backbone interact. energy: -0.985
local terms energy: -171.343579
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -44.065
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: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -542.566945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.566945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.545805 (E_RNA)
where:
Base-Base interactions energy: -372.570
where: short stacking energy: -153.861
Base-Backbone interact. energy: -1.409
local terms energy: -169.566317
where:
bonds (distance) C4'-P energy: -31.233
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -42.272
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -520.015097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.015097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.219738 (E_RNA)
where:
Base-Base interactions energy: -360.741
where: short stacking energy: -142.886
Base-Backbone interact. energy: -1.085
local terms energy: -159.394618
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -36.363
Dist. restrs. and SS energy: 1.205 (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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -494.893381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.893381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.224545 (E_RNA)
where:
Base-Base interactions energy: -329.686
where: short stacking energy: -137.198
Base-Backbone interact. energy: -0.527
local terms energy: -165.011760
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -37.537
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -506.838044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.838044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.567707 (E_RNA)
where:
Base-Base interactions energy: -358.667
where: short stacking energy: -136.228
Base-Backbone interact. energy: -0.128
local terms energy: -148.772529
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -33.004
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -36.005
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -494.891660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.891660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.179329 (E_RNA)
where:
Base-Base interactions energy: -329.729
where: short stacking energy: -131.849
Base-Backbone interact. energy: -1.102
local terms energy: -164.348524
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -33.844
flat angles C4'-P-C4' energy: -40.819
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -36.738
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -471.870541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.870541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.269573 (E_RNA)
where:
Base-Base interactions energy: -330.893
where: short stacking energy: -136.556
Base-Backbone interact. energy: -0.723
local terms energy: -140.653649
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -40.007
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: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -456.449468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.449468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.957208 (E_RNA)
where:
Base-Base interactions energy: -319.974
where: short stacking energy: -116.448
Base-Backbone interact. energy: -1.441
local terms energy: -135.541840
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -25.130
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: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -445.157156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.157156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.753607 (E_RNA)
where:
Base-Base interactions energy: -317.651
where: short stacking energy: -114.182
Base-Backbone interact. energy: -1.728
local terms energy: -126.374765
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -29.879
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -448.393057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.393057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.199387 (E_RNA)
where:
Base-Base interactions energy: -307.328
where: short stacking energy: -113.146
Base-Backbone interact. energy: -0.718
local terms energy: -141.153935
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -547.288646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.288646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.826394 (E_RNA)
where:
Base-Base interactions energy: -383.553
where: short stacking energy: -151.508
Base-Backbone interact. energy: -0.449
local terms energy: -163.824070
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -18.927
tors. eta vs tors. theta energy: -45.423
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: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -550.006096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.006096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.710835 (E_RNA)
where:
Base-Base interactions energy: -365.616
where: short stacking energy: -159.098
Base-Backbone interact. energy: 1.934
local terms energy: -187.028082
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -35.434
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -51.837
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -532.059594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.059594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.067491 (E_RNA)
where:
Base-Base interactions energy: -369.107
where: short stacking energy: -144.869
Base-Backbone interact. energy: -1.014
local terms energy: -162.945967
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -43.491
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -498.154375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.154375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.476969 (E_RNA)
where:
Base-Base interactions energy: -341.113
where: short stacking energy: -133.598
Base-Backbone interact. energy: 0.252
local terms energy: -157.615328
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -499.363257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.363257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.616318 (E_RNA)
where:
Base-Base interactions energy: -333.758
where: short stacking energy: -139.107
Base-Backbone interact. energy: -1.416
local terms energy: -164.442566
where:
bonds (distance) C4'-P energy: -36.343
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -37.682
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: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -500.940458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.940458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.686658 (E_RNA)
where:
Base-Base interactions energy: -340.241
where: short stacking energy: -127.303
Base-Backbone interact. energy: -1.187
local terms energy: -160.258852
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -37.584
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: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -472.711405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.711405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.101808 (E_RNA)
where:
Base-Base interactions energy: -316.069
where: short stacking energy: -132.228
Base-Backbone interact. energy: 1.852
local terms energy: -158.884530
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -42.249
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: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -471.152340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.152340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.673892 (E_RNA)
where:
Base-Base interactions energy: -327.213
where: short stacking energy: -126.674
Base-Backbone interact. energy: -0.724
local terms energy: -143.737029
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -35.898
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: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -472.142973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.142973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.627651 (E_RNA)
where:
Base-Base interactions energy: -334.673
where: short stacking energy: -133.663
Base-Backbone interact. energy: 0.419
local terms energy: -138.374060
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -33.987
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -467.745505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.745505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.047686 (E_RNA)
where:
Base-Base interactions energy: -324.204
where: short stacking energy: -119.809
Base-Backbone interact. energy: -0.773
local terms energy: -143.070412
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -33.793
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -532.687221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.687221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.995768 (E_RNA)
where:
Base-Base interactions energy: -370.159
where: short stacking energy: -154.724
Base-Backbone interact. energy: -0.607
local terms energy: -162.229775
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -539.126526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.126526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.964009 (E_RNA)
where:
Base-Base interactions energy: -372.679
where: short stacking energy: -155.346
Base-Backbone interact. energy: 2.094
local terms energy: -169.379630
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -34.911
flat angles C4'-P-C4' energy: -38.899
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -44.790
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -531.130134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.130134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.201529 (E_RNA)
where:
Base-Base interactions energy: -358.727
where: short stacking energy: -149.064
Base-Backbone interact. energy: 0.072
local terms energy: -172.546449
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -40.641
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -508.840789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.840789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.130630 (E_RNA)
where:
Base-Base interactions energy: -360.339
where: short stacking energy: -146.889
Base-Backbone interact. energy: -0.794
local terms energy: -147.998168
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -42.239
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: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -499.943458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.943458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.747310 (E_RNA)
where:
Base-Base interactions energy: -355.331
where: short stacking energy: -144.516
Base-Backbone interact. energy: -0.834
local terms energy: -144.582268
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -37.978
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -36.020
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: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -476.347265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.347265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.960506 (E_RNA)
where:
Base-Base interactions energy: -330.332
where: short stacking energy: -130.543
Base-Backbone interact. energy: -1.396
local terms energy: -145.232643
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -36.596
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: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -482.119167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.119167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.983145 (E_RNA)
where:
Base-Base interactions energy: -330.998
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.738
local terms energy: -151.246643
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -39.083
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: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -454.840670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.840670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.310005 (E_RNA)
where:
Base-Base interactions energy: -322.232
where: short stacking energy: -117.389
Base-Backbone interact. energy: 0.584
local terms energy: -133.661581
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -31.659
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: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -463.748044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.748044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.486591 (E_RNA)
where:
Base-Base interactions energy: -317.519
where: short stacking energy: -131.996
Base-Backbone interact. energy: -1.963
local terms energy: -145.004744
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -36.970
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -435.928572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.928572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.075666 (E_RNA)
where:
Base-Base interactions energy: -303.593
where: short stacking energy: -110.379
Base-Backbone interact. energy: 0.425
local terms energy: -133.907109
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -31.117
Dist. restrs. and SS energy: 1.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -551.904569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.904569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.052456 (E_RNA)
where:
Base-Base interactions energy: -378.543
where: short stacking energy: -155.667
Base-Backbone interact. energy: -1.052
local terms energy: -172.457434
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -39.924
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -535.007436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.007436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.561284 (E_RNA)
where:
Base-Base interactions energy: -365.692
where: short stacking energy: -146.754
Base-Backbone interact. energy: 0.288
local terms energy: -170.157804
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -520.169807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.169807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.687801 (E_RNA)
where:
Base-Base interactions energy: -350.177
where: short stacking energy: -149.266
Base-Backbone interact. energy: -1.257
local terms energy: -169.253886
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -41.014
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: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -537.698594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.698594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.099174 (E_RNA)
where:
Base-Base interactions energy: -364.461
where: short stacking energy: -143.519
Base-Backbone interact. energy: -2.327
local terms energy: -171.311382
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: -45.169
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: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -492.264028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.264028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.567570 (E_RNA)
where:
Base-Base interactions energy: -329.155
where: short stacking energy: -128.982
Base-Backbone interact. energy: -0.978
local terms energy: -162.434994
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -36.370
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: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -485.122166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.122166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.411672 (E_RNA)
where:
Base-Base interactions energy: -335.337
where: short stacking energy: -134.674
Base-Backbone interact. energy: -0.295
local terms energy: -149.779813
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -36.476
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: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -479.008239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.008239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.506362 (E_RNA)
where:
Base-Base interactions energy: -334.672
where: short stacking energy: -135.758
Base-Backbone interact. energy: -1.742
local terms energy: -143.091787
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -41.235
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: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -455.819621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.819621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.380385 (E_RNA)
where:
Base-Base interactions energy: -318.100
where: short stacking energy: -128.078
Base-Backbone interact. energy: 0.142
local terms energy: -138.422293
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -32.240
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: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -461.263227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.263227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.375447 (E_RNA)
where:
Base-Base interactions energy: -332.810
where: short stacking energy: -131.653
Base-Backbone interact. energy: -1.384
local terms energy: -128.181160
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -444.949346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.949346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.394731 (E_RNA)
where:
Base-Base interactions energy: -317.366
where: short stacking energy: -128.512
Base-Backbone interact. energy: 0.176
local terms energy: -128.204695
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -31.765
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: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -556.635363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.635363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.441253 (E_RNA)
where:
Base-Base interactions energy: -385.929
where: short stacking energy: -161.168
Base-Backbone interact. energy: 0.199
local terms energy: -171.712122
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -46.524
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -538.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.727677 (E_RNA)
where:
Base-Base interactions energy: -366.468
where: short stacking energy: -146.291
Base-Backbone interact. energy: 0.469
local terms energy: -172.728878
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -44.071
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -523.550251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.550251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.765313 (E_RNA)
where:
Base-Base interactions energy: -353.972
where: short stacking energy: -143.240
Base-Backbone interact. energy: -0.741
local terms energy: -169.052033
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -39.282
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: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -520.056208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.056208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.610690 (E_RNA)
where:
Base-Base interactions energy: -349.697
where: short stacking energy: -137.985
Base-Backbone interact. energy: 0.192
local terms energy: -171.105931
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -502.890469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.890469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.920517 (E_RNA)
where:
Base-Base interactions energy: -342.455
where: short stacking energy: -150.784
Base-Backbone interact. energy: -0.584
local terms energy: -160.881755
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -470.843037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.843037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.244957 (E_RNA)
where:
Base-Base interactions energy: -322.286
where: short stacking energy: -124.191
Base-Backbone interact. energy: 1.365
local terms energy: -150.324176
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -38.460
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: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -488.683063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.683063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.920844 (E_RNA)
where:
Base-Base interactions energy: -332.790
where: short stacking energy: -143.501
Base-Backbone interact. energy: -2.686
local terms energy: -153.445516
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -38.739
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -477.379781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.379781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.499636 (E_RNA)
where:
Base-Base interactions energy: -339.986
where: short stacking energy: -141.480
Base-Backbone interact. energy: 4.735
local terms energy: -143.248995
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -38.470
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: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -450.048729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.048729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.628555 (E_RNA)
where:
Base-Base interactions energy: -321.943
where: short stacking energy: -121.119
Base-Backbone interact. energy: -1.173
local terms energy: -127.512380
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -32.349
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -34.199
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: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -424.046855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.046855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.623515 (E_RNA)
where:
Base-Base interactions energy: -293.178
where: short stacking energy: -111.382
Base-Backbone interact. energy: 3.486
local terms energy: -134.931185
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -29.524
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: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -554.354101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.354101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.787688 (E_RNA)
where:
Base-Base interactions energy: -381.330
where: short stacking energy: -157.865
Base-Backbone interact. energy: -0.402
local terms energy: -173.055656
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -44.674
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: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -535.921092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.921092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.141245 (E_RNA)
where:
Base-Base interactions energy: -369.861
where: short stacking energy: -155.533
Base-Backbone interact. energy: 0.561
local terms energy: -166.841033
where:
bonds (distance) C4'-P energy: -28.753
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -44.635
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: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -528.028049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.028049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.237908 (E_RNA)
where:
Base-Base interactions energy: -367.810
where: short stacking energy: -154.989
Base-Backbone interact. energy: -0.927
local terms energy: -159.501581
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -45.514
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -519.487722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.487722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.850477 (E_RNA)
where:
Base-Base interactions energy: -359.447
where: short stacking energy: -151.534
Base-Backbone interact. energy: 0.433
local terms energy: -160.835963
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -39.773
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -500.952135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.952135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.135797 (E_RNA)
where:
Base-Base interactions energy: -346.435
where: short stacking energy: -140.682
Base-Backbone interact. energy: -0.150
local terms energy: -154.550951
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -31.200
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -37.455
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -471.158301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.158301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.653587 (E_RNA)
where:
Base-Base interactions energy: -326.552
where: short stacking energy: -133.262
Base-Backbone interact. energy: 0.133
local terms energy: -145.234774
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -38.365
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -471.192445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.192445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.624261 (E_RNA)
where:
Base-Base interactions energy: -329.247
where: short stacking energy: -121.988
Base-Backbone interact. energy: -0.899
local terms energy: -141.478046
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -37.501
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: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -454.713485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.713485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.969776 (E_RNA)
where:
Base-Base interactions energy: -310.410
where: short stacking energy: -117.308
Base-Backbone interact. energy: -0.355
local terms energy: -144.203894
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -28.347
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -33.510
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: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -453.886769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.886769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.181009 (E_RNA)
where:
Base-Base interactions energy: -327.834
where: short stacking energy: -130.153
Base-Backbone interact. energy: -0.424
local terms energy: -125.923315
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -423.055181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.055181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.413726 (E_RNA)
where:
Base-Base interactions energy: -286.747
where: short stacking energy: -105.979
Base-Backbone interact. energy: -1.867
local terms energy: -134.799765
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -30.846
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -24.033
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: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -541.923880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.923880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.108492 (E_RNA)
where:
Base-Base interactions energy: -368.075
where: short stacking energy: -146.922
Base-Backbone interact. energy: -0.396
local terms energy: -173.637724
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -35.438
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -41.218
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: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -540.730813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.730813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.238904 (E_RNA)
where:
Base-Base interactions energy: -366.976
where: short stacking energy: -157.591
Base-Backbone interact. energy: -2.257
local terms energy: -172.005926
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -49.553
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -530.499962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.499962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.317764 (E_RNA)
where:
Base-Base interactions energy: -365.494
where: short stacking energy: -154.138
Base-Backbone interact. energy: -1.287
local terms energy: -165.536824
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -45.406
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -517.074662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.074662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.887824 (E_RNA)
where:
Base-Base interactions energy: -358.951
where: short stacking energy: -154.176
Base-Backbone interact. energy: 2.781
local terms energy: -161.718069
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -504.686251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.686251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.458183 (E_RNA)
where:
Base-Base interactions energy: -340.241
where: short stacking energy: -148.271
Base-Backbone interact. energy: -1.012
local terms energy: -164.205364
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -39.471
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: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -454.047942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.047942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.762811 (E_RNA)
where:
Base-Base interactions energy: -319.263
where: short stacking energy: -129.537
Base-Backbone interact. energy: 0.214
local terms energy: -135.713938
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -33.312
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: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -483.651465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.651465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.984443 (E_RNA)
where:
Base-Base interactions energy: -324.064
where: short stacking energy: -130.429
Base-Backbone interact. energy: 0.217
local terms energy: -160.137730
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -40.829
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -462.335534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.335534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.543676 (E_RNA)
where:
Base-Base interactions energy: -330.089
where: short stacking energy: -133.577
Base-Backbone interact. energy: 0.622
local terms energy: -133.076255
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -29.821
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: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -437.547573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.547573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.874861 (E_RNA)
where:
Base-Base interactions energy: -305.332
where: short stacking energy: -100.930
Base-Backbone interact. energy: -2.410
local terms energy: -130.132451
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -28.773
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: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -457.790206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.790206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.333720 (E_RNA)
where:
Base-Base interactions energy: -316.957
where: short stacking energy: -125.789
Base-Backbone interact. energy: 0.680
local terms energy: -142.056346
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -36.790
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: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -540.903256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.903256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.104232 (E_RNA)
where:
Base-Base interactions energy: -363.174
where: short stacking energy: -158.280
Base-Backbone interact. energy: 0.831
local terms energy: -178.762092
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -44.594
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -541.462312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.462312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.000437 (E_RNA)
where:
Base-Base interactions energy: -375.982
where: short stacking energy: -150.079
Base-Backbone interact. energy: -0.719
local terms energy: -165.300126
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -37.575
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -40.519
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: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -533.389544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.389544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.197508 (E_RNA)
where:
Base-Base interactions energy: -365.888
where: short stacking energy: -147.503
Base-Backbone interact. energy: -1.190
local terms energy: -167.119685
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -44.436
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: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -526.388114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.388114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.634109 (E_RNA)
where:
Base-Base interactions energy: -368.712
where: short stacking energy: -143.013
Base-Backbone interact. energy: -0.944
local terms energy: -156.977617
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -35.704
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -40.079
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: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -492.905804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.905804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.658444 (E_RNA)
where:
Base-Base interactions energy: -346.873
where: short stacking energy: -144.841
Base-Backbone interact. energy: -1.074
local terms energy: -145.711293
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -488.135342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.135342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.282928 (E_RNA)
where:
Base-Base interactions energy: -332.820
where: short stacking energy: -132.559
Base-Backbone interact. energy: -1.676
local terms energy: -153.786542
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -31.545
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -480.938193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.938193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.148525 (E_RNA)
where:
Base-Base interactions energy: -335.100
where: short stacking energy: -123.728
Base-Backbone interact. energy: 1.643
local terms energy: -147.691183
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -40.031
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: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -441.461018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.461018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.625059 (E_RNA)
where:
Base-Base interactions energy: -315.223
where: short stacking energy: -130.794
Base-Backbone interact. energy: -3.417
local terms energy: -123.985248
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -32.476
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -437.922801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.922801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.595814 (E_RNA)
where:
Base-Base interactions energy: -292.724
where: short stacking energy: -113.173
Base-Backbone interact. energy: -0.772
local terms energy: -145.100658
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -34.204
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -31.520
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -420.035930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.035930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.936455 (E_RNA)
where:
Base-Base interactions energy: -289.945
where: short stacking energy: -109.937
Base-Backbone interact. energy: -1.337
local terms energy: -129.655099
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -29.895
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -547.336055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.336055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.379818 (E_RNA)
where:
Base-Base interactions energy: -376.501
where: short stacking energy: -164.132
Base-Backbone interact. energy: -0.696
local terms energy: -170.183197
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -46.237
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -543.384643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.384643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.885290 (E_RNA)
where:
Base-Base interactions energy: -373.613
where: short stacking energy: -158.476
Base-Backbone interact. energy: -0.280
local terms energy: -169.992438
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -41.310
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: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -528.522582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.522582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.874536 (E_RNA)
where:
Base-Base interactions energy: -361.884
where: short stacking energy: -152.722
Base-Backbone interact. energy: -0.202
local terms energy: -166.788446
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -43.811
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -526.554141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.554141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.935164 (E_RNA)
where:
Base-Base interactions energy: -371.854
where: short stacking energy: -149.835
Base-Backbone interact. energy: 1.165
local terms energy: -156.246001
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -44.659
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: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -509.885769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.885769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.608934 (E_RNA)
where:
Base-Base interactions energy: -349.629
where: short stacking energy: -146.101
Base-Backbone interact. energy: -1.332
local terms energy: -159.648621
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -41.513
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -484.649008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.649008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.146789 (E_RNA)
where:
Base-Base interactions energy: -331.014
where: short stacking energy: -119.016
Base-Backbone interact. energy: -0.785
local terms energy: -153.347375
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -33.665
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: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -451.713846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.713846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.804602 (E_RNA)
where:
Base-Base interactions energy: -313.197
where: short stacking energy: -117.866
Base-Backbone interact. energy: -0.319
local terms energy: -139.288893
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -473.907374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.532774 (E_RNA)
where:
Base-Base interactions energy: -315.990
where: short stacking energy: -130.291
Base-Backbone interact. energy: -0.334
local terms energy: -158.209100
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -39.594
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: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -418.575206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.575206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.339966 (E_RNA)
where:
Base-Base interactions energy: -282.335
where: short stacking energy: -114.191
Base-Backbone interact. energy: 0.205
local terms energy: -137.210413
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -36.679
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -25.485
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -424.499941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.499941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.837212 (E_RNA)
where:
Base-Base interactions energy: -291.626
where: short stacking energy: -115.616
Base-Backbone interact. energy: -0.956
local terms energy: -132.255346
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -25.419
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: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -554.938879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.938879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.496218 (E_RNA)
where:
Base-Base interactions energy: -385.930
where: short stacking energy: -155.492
Base-Backbone interact. energy: -0.718
local terms energy: -168.848045
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -42.713
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: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -527.712705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.712705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.063746 (E_RNA)
where:
Base-Base interactions energy: -366.769
where: short stacking energy: -137.945
Base-Backbone interact. energy: -0.327
local terms energy: -160.967775
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -38.711
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -42.659
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: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -532.561635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.561635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.072495 (E_RNA)
where:
Base-Base interactions energy: -367.563
where: short stacking energy: -146.997
Base-Backbone interact. energy: -0.689
local terms energy: -164.820008
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -20.742
tors. eta vs tors. theta energy: -45.516
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -522.630528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.630528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.829643 (E_RNA)
where:
Base-Base interactions energy: -350.614
where: short stacking energy: -134.904
Base-Backbone interact. energy: -1.053
local terms energy: -171.161739
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -44.329
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: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -517.751068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.751068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.256225 (E_RNA)
where:
Base-Base interactions energy: -349.377
where: short stacking energy: -150.495
Base-Backbone interact. energy: 0.298
local terms energy: -169.176797
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -42.259
Dist. restrs. and SS energy: 0.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -489.651128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.651128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.404196 (E_RNA)
where:
Base-Base interactions energy: -343.699
where: short stacking energy: -134.894
Base-Backbone interact. energy: -1.037
local terms energy: -145.667772
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -38.157
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -457.017682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.017682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.211261 (E_RNA)
where:
Base-Base interactions energy: -319.961
where: short stacking energy: -131.809
Base-Backbone interact. energy: 1.092
local terms energy: -138.342427
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -35.368
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: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -435.844756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.844756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.682925 (E_RNA)
where:
Base-Base interactions energy: -315.611
where: short stacking energy: -119.097
Base-Backbone interact. energy: -1.905
local terms energy: -119.166823
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -32.068
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: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -418.363730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.363730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.562416 (E_RNA)
where:
Base-Base interactions energy: -292.864
where: short stacking energy: -102.790
Base-Backbone interact. energy: -0.629
local terms energy: -129.069082
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 4.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -402.947250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.947250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.571891 (E_RNA)
where:
Base-Base interactions energy: -281.584
where: short stacking energy: -108.063
Base-Backbone interact. energy: 1.757
local terms energy: -123.745233
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -28.772
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: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -567.706341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.706341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.233158 (E_RNA)
where:
Base-Base interactions energy: -396.716
where: short stacking energy: -163.349
Base-Backbone interact. energy: -0.503
local terms energy: -171.013582
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -46.162
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: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -526.125973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.125973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.679380 (E_RNA)
where:
Base-Base interactions energy: -343.855
where: short stacking energy: -148.570
Base-Backbone interact. energy: -0.667
local terms energy: -182.157212
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -38.442
flat angles P-C4'-P energy: -29.218
tors. eta vs tors. theta energy: -47.563
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -525.591392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.591392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.098207 (E_RNA)
where:
Base-Base interactions energy: -363.409
where: short stacking energy: -152.818
Base-Backbone interact. energy: 2.292
local terms energy: -164.981163
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -40.126
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: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -521.921828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.921828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.244439 (E_RNA)
where:
Base-Base interactions energy: -354.083
where: short stacking energy: -139.508
Base-Backbone interact. energy: 0.413
local terms energy: -168.574089
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -503.053364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.053364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.976897 (E_RNA)
where:
Base-Base interactions energy: -342.682
where: short stacking energy: -139.973
Base-Backbone interact. energy: -0.552
local terms energy: -160.742569
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -482.595229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.595229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.224274 (E_RNA)
where:
Base-Base interactions energy: -332.289
where: short stacking energy: -126.622
Base-Backbone interact. energy: -1.220
local terms energy: -149.715186
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -39.813
flat angles C4'-P-C4' energy: -36.569
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -28.799
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: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -468.209854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.209854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.865018 (E_RNA)
where:
Base-Base interactions energy: -327.422
where: short stacking energy: -131.687
Base-Backbone interact. energy: -1.218
local terms energy: -140.225332
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -43.079
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -436.224681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.224681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.083061 (E_RNA)
where:
Base-Base interactions energy: -293.508
where: short stacking energy: -118.578
Base-Backbone interact. energy: -0.105
local terms energy: -144.470305
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -32.186
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -409.999514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.999514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.449845 (E_RNA)
where:
Base-Base interactions energy: -289.586
where: short stacking energy: -103.794
Base-Backbone interact. energy: -1.642
local terms energy: -119.221319
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -32.445
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -24.964
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: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -426.982458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.982458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.307898 (E_RNA)
where:
Base-Base interactions energy: -311.307
where: short stacking energy: -125.194
Base-Backbone interact. energy: -0.760
local terms energy: -115.240630
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -28.930
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -543.237586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.237586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.432645 (E_RNA)
where:
Base-Base interactions energy: -372.650
where: short stacking energy: -149.726
Base-Backbone interact. energy: -1.309
local terms energy: -169.473267
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -42.785
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: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -555.520880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.520880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.833113 (E_RNA)
where:
Base-Base interactions energy: -379.099
where: short stacking energy: -147.011
Base-Backbone interact. energy: -1.067
local terms energy: -175.666803
where:
bonds (distance) C4'-P energy: -34.257
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -41.365
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: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -523.748744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.748744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.108125 (E_RNA)
where:
Base-Base interactions energy: -353.657
where: short stacking energy: -146.680
Base-Backbone interact. energy: 0.201
local terms energy: -170.652146
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -46.045
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: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -516.132801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.132801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.783538 (E_RNA)
where:
Base-Base interactions energy: -349.275
where: short stacking energy: -130.968
Base-Backbone interact. energy: -0.330
local terms energy: -167.179002
where:
bonds (distance) C4'-P energy: -32.210
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -39.027
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -524.218979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.218979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.480364 (E_RNA)
where:
Base-Base interactions energy: -358.342
where: short stacking energy: -154.986
Base-Backbone interact. energy: -0.578
local terms energy: -165.561229
where:
bonds (distance) C4'-P energy: -32.413
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -36.699
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -48.138
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -495.145145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.145145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.886073 (E_RNA)
where:
Base-Base interactions energy: -338.216
where: short stacking energy: -137.713
Base-Backbone interact. energy: -0.149
local terms energy: -157.521376
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -42.695
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -473.413627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.413627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.033007 (E_RNA)
where:
Base-Base interactions energy: -334.742
where: short stacking energy: -127.724
Base-Backbone interact. energy: -1.068
local terms energy: -138.223138
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -38.011
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: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -425.947076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.947076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.882466 (E_RNA)
where:
Base-Base interactions energy: -276.990
where: short stacking energy: -110.684
Base-Backbone interact. energy: -0.665
local terms energy: -153.227972
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -35.815
Dist. restrs. and SS energy: 4.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -429.907693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.907693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.419433 (E_RNA)
where:
Base-Base interactions energy: -301.112
where: short stacking energy: -113.781
Base-Backbone interact. energy: 0.194
local terms energy: -129.501919
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -24.564
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: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -402.634770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.634770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.752843 (E_RNA)
where:
Base-Base interactions energy: -287.534
where: short stacking energy: -96.791
Base-Backbone interact. energy: -1.082
local terms energy: -114.137221
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -537.015209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.015209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.064287 (E_RNA)
where:
Base-Base interactions energy: -363.936
where: short stacking energy: -146.444
Base-Backbone interact. energy: -1.857
local terms energy: -172.271080
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 1.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -543.677870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.677870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.776000 (E_RNA)
where:
Base-Base interactions energy: -382.999
where: short stacking energy: -149.777
Base-Backbone interact. energy: -1.030
local terms energy: -160.746641
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -39.529
Dist. restrs. and SS energy: 1.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -519.668937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.668937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.576707 (E_RNA)
where:
Base-Base interactions energy: -351.976
where: short stacking energy: -144.598
Base-Backbone interact. energy: 0.789
local terms energy: -169.390011
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -43.762
Dist. restrs. and SS energy: 0.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -523.905007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.905007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.907590 (E_RNA)
where:
Base-Base interactions energy: -364.094
where: short stacking energy: -143.981
Base-Backbone interact. energy: -1.452
local terms energy: -160.361318
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 2.003 (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: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -501.042232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.042232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.261961 (E_RNA)
where:
Base-Base interactions energy: -340.662
where: short stacking energy: -138.573
Base-Backbone interact. energy: -0.699
local terms energy: -160.901127
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -33.081
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 1.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -499.643235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.643235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.888440 (E_RNA)
where:
Base-Base interactions energy: -351.429
where: short stacking energy: -143.486
Base-Backbone interact. energy: 1.323
local terms energy: -149.783265
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -37.661
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -487.709416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.709416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.456735 (E_RNA)
where:
Base-Base interactions energy: -335.470
where: short stacking energy: -144.673
Base-Backbone interact. energy: 2.851
local terms energy: -155.838321
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -42.742
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: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -437.980952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.980952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.330234 (E_RNA)
where:
Base-Base interactions energy: -309.584
where: short stacking energy: -128.041
Base-Backbone interact. energy: 1.496
local terms energy: -130.242289
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -28.606
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -429.284115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.284115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.874890 (E_RNA)
where:
Base-Base interactions energy: -305.939
where: short stacking energy: -120.873
Base-Backbone interact. energy: 0.951
local terms energy: -126.886582
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -34.228
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -408.905267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.905267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.715637 (E_RNA)
where:
Base-Base interactions energy: -274.510
where: short stacking energy: -104.234
Base-Backbone interact. energy: -0.758
local terms energy: -134.447823
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -24.889
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: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -551.901449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.548415 (E_RNA)
where:
Base-Base interactions energy: -379.760
where: short stacking energy: -150.697
Base-Backbone interact. energy: -0.606
local terms energy: -172.182334
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -43.925
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: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -544.040194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.040194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.366203 (E_RNA)
where:
Base-Base interactions energy: -373.893
where: short stacking energy: -159.122
Base-Backbone interact. energy: -0.061
local terms energy: -170.412610
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -45.552
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -518.812921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.812921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.330625 (E_RNA)
where:
Base-Base interactions energy: -356.308
where: short stacking energy: -137.039
Base-Backbone interact. energy: 0.331
local terms energy: -163.353756
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -42.404
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -516.811756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.811756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.211497 (E_RNA)
where:
Base-Base interactions energy: -356.701
where: short stacking energy: -144.379
Base-Backbone interact. energy: -0.758
local terms energy: -159.752075
where:
bonds (distance) C4'-P energy: -29.807
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -42.159
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: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -510.663533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.663533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.528383 (E_RNA)
where:
Base-Base interactions energy: -344.691
where: short stacking energy: -152.103
Base-Backbone interact. energy: -0.806
local terms energy: -166.032055
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -45.257
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: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -472.299405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.299405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.457694 (E_RNA)
where:
Base-Base interactions energy: -330.481
where: short stacking energy: -138.473
Base-Backbone interact. energy: -0.651
local terms energy: -141.325881
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -34.421
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: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -490.098343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.098343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.599581 (E_RNA)
where:
Base-Base interactions energy: -337.861
where: short stacking energy: -138.583
Base-Backbone interact. energy: 0.465
local terms energy: -153.203449
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -40.907
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -456.224097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.224097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.056176 (E_RNA)
where:
Base-Base interactions energy: -305.310
where: short stacking energy: -122.676
Base-Backbone interact. energy: -0.584
local terms energy: -151.161429
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -37.971
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: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -426.429632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.429632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.020486 (E_RNA)
where:
Base-Base interactions energy: -291.135
where: short stacking energy: -111.711
Base-Backbone interact. energy: -0.592
local terms energy: -135.293164
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -33.529
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -392.823858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.823858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.153965 (E_RNA)
where:
Base-Base interactions energy: -273.478
where: short stacking energy: -102.449
Base-Backbone interact. energy: -0.383
local terms energy: -124.292948
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 5.330 (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: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -551.210659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.210659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.106470 (E_RNA)
where:
Base-Base interactions energy: -380.155
where: short stacking energy: -153.087
Base-Backbone interact. energy: -0.708
local terms energy: -171.242889
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -549.895721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.895721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.611018 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -150.706
Base-Backbone interact. energy: -1.810
local terms energy: -165.543967
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -528.130470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.130470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.566895 (E_RNA)
where:
Base-Base interactions energy: -358.733
where: short stacking energy: -149.770
Base-Backbone interact. energy: -0.216
local terms energy: -169.618772
where:
bonds (distance) C4'-P energy: -31.610
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -41.960
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: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -500.067437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.067437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.487293 (E_RNA)
where:
Base-Base interactions energy: -329.595
where: short stacking energy: -137.931
Base-Backbone interact. energy: 0.212
local terms energy: -171.104559
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -39.955
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -40.173
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -516.189558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.189558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.502609 (E_RNA)
where:
Base-Base interactions energy: -352.749
where: short stacking energy: -144.943
Base-Backbone interact. energy: -1.977
local terms energy: -161.776327
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -45.780
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -482.798910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.798910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.633398 (E_RNA)
where:
Base-Base interactions energy: -333.240
where: short stacking energy: -122.128
Base-Backbone interact. energy: 1.336
local terms energy: -151.728911
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -38.354
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -465.697462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.697462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.832136 (E_RNA)
where:
Base-Base interactions energy: -326.645
where: short stacking energy: -128.780
Base-Backbone interact. energy: -0.824
local terms energy: -138.362876
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -31.556
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: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -424.720539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.720539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.312679 (E_RNA)
where:
Base-Base interactions energy: -296.634
where: short stacking energy: -111.887
Base-Backbone interact. energy: -0.196
local terms energy: -128.482668
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -30.379
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: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -438.456287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.456287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.800392 (E_RNA)
where:
Base-Base interactions energy: -313.073
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.265
local terms energy: -125.462476
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -33.444
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: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -407.820063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.820063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.903450 (E_RNA)
where:
Base-Base interactions energy: -296.747
where: short stacking energy: -116.815
Base-Backbone interact. energy: -0.643
local terms energy: -113.513293
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -553.789956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.183288 (E_RNA)
where:
Base-Base interactions energy: -389.034
where: short stacking energy: -153.137
Base-Backbone interact. energy: -0.462
local terms energy: -164.687043
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -36.114
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -44.481
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: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -544.125972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.125972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.500649 (E_RNA)
where:
Base-Base interactions energy: -377.338
where: short stacking energy: -137.060
Base-Backbone interact. energy: -0.484
local terms energy: -166.678763
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -42.427
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -511.977066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.977066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.075663 (E_RNA)
where:
Base-Base interactions energy: -354.033
where: short stacking energy: -146.779
Base-Backbone interact. energy: -0.568
local terms energy: -157.474450
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -44.441
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: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -498.036855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.036855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.417353 (E_RNA)
where:
Base-Base interactions energy: -341.248
where: short stacking energy: -127.254
Base-Backbone interact. energy: -0.354
local terms energy: -156.815408
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -40.281
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -498.957219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.957219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.298944 (E_RNA)
where:
Base-Base interactions energy: -329.000
where: short stacking energy: -136.554
Base-Backbone interact. energy: -1.267
local terms energy: -169.032259
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -40.882
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: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -494.350152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.350152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.827662 (E_RNA)
where:
Base-Base interactions energy: -336.847
where: short stacking energy: -139.269
Base-Backbone interact. energy: -1.017
local terms energy: -156.963481
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -48.318
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: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -441.504581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.504581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.624545 (E_RNA)
where:
Base-Base interactions energy: -291.694
where: short stacking energy: -118.077
Base-Backbone interact. energy: -1.983
local terms energy: -148.947829
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -32.833
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: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -464.581075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.581075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.981437 (E_RNA)
where:
Base-Base interactions energy: -321.078
where: short stacking energy: -124.607
Base-Backbone interact. energy: -0.425
local terms energy: -143.478637
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -33.195
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -34.653
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -443.979413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.979413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.275311 (E_RNA)
where:
Base-Base interactions energy: -306.509
where: short stacking energy: -121.779
Base-Backbone interact. energy: 0.617
local terms energy: -138.384048
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -30.245
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -398.067899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.067899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.895254 (E_RNA)
where:
Base-Base interactions energy: -274.725
where: short stacking energy: -94.534
Base-Backbone interact. energy: -0.890
local terms energy: -130.279655
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 7.827 (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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -537.006235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.006235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.493134 (E_RNA)
where:
Base-Base interactions energy: -365.347
where: short stacking energy: -146.393
Base-Backbone interact. energy: -0.164
local terms energy: -171.982196
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: -40.060
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: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -532.509906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.509906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.160075 (E_RNA)
where:
Base-Base interactions energy: -370.135
where: short stacking energy: -140.676
Base-Backbone interact. energy: 1.134
local terms energy: -164.159676
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -40.945
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -520.450753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.450753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.714478 (E_RNA)
where:
Base-Base interactions energy: -369.603
where: short stacking energy: -141.950
Base-Backbone interact. energy: 5.206
local terms energy: -156.317211
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -507.749797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.749797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.229485 (E_RNA)
where:
Base-Base interactions energy: -361.663
where: short stacking energy: -155.226
Base-Backbone interact. energy: 2.485
local terms energy: -149.051223
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -40.928
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: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -499.298115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.298115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.441612 (E_RNA)
where:
Base-Base interactions energy: -335.141
where: short stacking energy: -132.305
Base-Backbone interact. energy: -0.116
local terms energy: -165.184366
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -37.808
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -452.455543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.455543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.115612 (E_RNA)
where:
Base-Base interactions energy: -306.818
where: short stacking energy: -111.969
Base-Backbone interact. energy: -1.902
local terms energy: -144.395950
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -35.170
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: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -455.140738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.140738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.574112 (E_RNA)
where:
Base-Base interactions energy: -304.712
where: short stacking energy: -119.690
Base-Backbone interact. energy: -0.833
local terms energy: -150.029170
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -33.663
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -458.528305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.528305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.851446 (E_RNA)
where:
Base-Base interactions energy: -312.801
where: short stacking energy: -118.455
Base-Backbone interact. energy: -0.730
local terms energy: -145.320394
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -34.505
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: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -436.356116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.356116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.216795 (E_RNA)
where:
Base-Base interactions energy: -283.513
where: short stacking energy: -110.041
Base-Backbone interact. energy: -0.497
local terms energy: -153.206603
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -36.985
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -27.587
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: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -407.749985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.749985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.517109 (E_RNA)
where:
Base-Base interactions energy: -285.730
where: short stacking energy: -89.327
Base-Backbone interact. energy: 4.607
local terms energy: -128.393987
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -29.446
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -545.605376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.848067 (E_RNA)
where:
Base-Base interactions energy: -382.237
where: short stacking energy: -149.862
Base-Backbone interact. energy: 0.258
local terms energy: -163.869011
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -38.063
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -43.630
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -537.294076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.294076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.787780 (E_RNA)
where:
Base-Base interactions energy: -372.748
where: short stacking energy: -144.245
Base-Backbone interact. energy: -1.785
local terms energy: -164.254311
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -42.410
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -525.850757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.850757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.761236 (E_RNA)
where:
Base-Base interactions energy: -351.625
where: short stacking energy: -146.001
Base-Backbone interact. energy: 0.138
local terms energy: -175.273337
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: -44.276
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -521.741603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.741603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.156994 (E_RNA)
where:
Base-Base interactions energy: -367.611
where: short stacking energy: -137.857
Base-Backbone interact. energy: 5.523
local terms energy: -160.068985
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -37.295
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -502.274569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.274569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.830279 (E_RNA)
where:
Base-Base interactions energy: -341.614
where: short stacking energy: -142.437
Base-Backbone interact. energy: -0.923
local terms energy: -160.293358
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -40.439
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -457.392433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.392433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.655914 (E_RNA)
where:
Base-Base interactions energy: -319.958
where: short stacking energy: -127.341
Base-Backbone interact. energy: -0.406
local terms energy: -137.291788
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -29.184
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: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -473.432371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.432371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.772180 (E_RNA)
where:
Base-Base interactions energy: -322.146
where: short stacking energy: -121.892
Base-Backbone interact. energy: -1.224
local terms energy: -150.402179
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -21.731
tors. eta vs tors. theta energy: -33.200
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -441.471035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.471035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.706971 (E_RNA)
where:
Base-Base interactions energy: -306.813
where: short stacking energy: -112.492
Base-Backbone interact. energy: 0.726
local terms energy: -136.620425
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -426.002668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.002668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.344830 (E_RNA)
where:
Base-Base interactions energy: -306.029
where: short stacking energy: -120.855
Base-Backbone interact. energy: -0.403
local terms energy: -119.912961
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -29.240
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -404.851169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.851169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.448999 (E_RNA)
where:
Base-Base interactions energy: -280.565
where: short stacking energy: -102.121
Base-Backbone interact. energy: -1.698
local terms energy: -128.185503
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 5.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -559.239908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.239908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.845995 (E_RNA)
where:
Base-Base interactions energy: -375.202
where: short stacking energy: -158.920
Base-Backbone interact. energy: -0.103
local terms energy: -184.541359
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -44.427
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: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -550.631650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.631650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.298155 (E_RNA)
where:
Base-Base interactions energy: -381.459
where: short stacking energy: -166.405
Base-Backbone interact. energy: -0.397
local terms energy: -169.442826
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -38.681
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -539.536346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.536346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.890137 (E_RNA)
where:
Base-Base interactions energy: -370.492
where: short stacking energy: -151.588
Base-Backbone interact. energy: -0.097
local terms energy: -169.302026
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: -44.586
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: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -518.569619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.569619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.942765 (E_RNA)
where:
Base-Base interactions energy: -364.229
where: short stacking energy: -147.403
Base-Backbone interact. energy: 0.452
local terms energy: -155.165875
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -45.286
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -504.560563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.055831 (E_RNA)
where:
Base-Base interactions energy: -347.776
where: short stacking energy: -139.617
Base-Backbone interact. energy: -0.396
local terms energy: -156.883870
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -36.351
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -39.806
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -451.458795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.458795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.854908 (E_RNA)
where:
Base-Base interactions energy: -309.154
where: short stacking energy: -122.487
Base-Backbone interact. energy: -0.209
local terms energy: -142.491877
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -29.796
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -455.274654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.274654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.863405 (E_RNA)
where:
Base-Base interactions energy: -318.010
where: short stacking energy: -116.272
Base-Backbone interact. energy: -1.310
local terms energy: -136.543389
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -28.004
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: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -424.837458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.837458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.228340 (E_RNA)
where:
Base-Base interactions energy: -301.381
where: short stacking energy: -107.134
Base-Backbone interact. energy: -0.756
local terms energy: -123.091394
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -30.337
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -430.836321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.836321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.196440 (E_RNA)
where:
Base-Base interactions energy: -302.890
where: short stacking energy: -112.677
Base-Backbone interact. energy: -1.312
local terms energy: -126.995363
where:
bonds (distance) C4'-P energy: -25.866
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -24.548
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -412.201855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.201855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.116802 (E_RNA)
where:
Base-Base interactions energy: -282.341
where: short stacking energy: -103.897
Base-Backbone interact. energy: -0.815
local terms energy: -134.961049
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 5.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -546.137076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.137076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.565496 (E_RNA)
where:
Base-Base interactions energy: -372.776
where: short stacking energy: -152.186
Base-Backbone interact. energy: -0.375
local terms energy: -173.414799
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -38.662
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -44.198
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: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -530.123878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.123878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.590825 (E_RNA)
where:
Base-Base interactions energy: -363.950
where: short stacking energy: -157.873
Base-Backbone interact. energy: -0.334
local terms energy: -166.306247
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -529.640959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.640959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.419280 (E_RNA)
where:
Base-Base interactions energy: -365.501
where: short stacking energy: -155.631
Base-Backbone interact. energy: -0.812
local terms energy: -164.106149
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -45.039
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: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -528.411456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.411456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.789120 (E_RNA)
where:
Base-Base interactions energy: -361.240
where: short stacking energy: -147.135
Base-Backbone interact. energy: 2.576
local terms energy: -170.124912
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -43.238
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: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -513.734236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.734236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.391158 (E_RNA)
where:
Base-Base interactions energy: -357.178
where: short stacking energy: -146.899
Base-Backbone interact. energy: 4.815
local terms energy: -162.027446
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -33.919
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -37.892
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: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -466.957238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.957238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.381851 (E_RNA)
where:
Base-Base interactions energy: -313.490
where: short stacking energy: -120.699
Base-Backbone interact. energy: -0.543
local terms energy: -154.349775
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -36.147
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -460.528852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.528852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.765009 (E_RNA)
where:
Base-Base interactions energy: -318.788
where: short stacking energy: -121.806
Base-Backbone interact. energy: -0.499
local terms energy: -141.478740
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -29.297
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: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -456.957359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.957359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.196992 (E_RNA)
where:
Base-Base interactions energy: -315.635
where: short stacking energy: -128.495
Base-Backbone interact. energy: -0.127
local terms energy: -141.435783
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -39.803
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -424.807005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.807005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.241095 (E_RNA)
where:
Base-Base interactions energy: -298.709
where: short stacking energy: -107.659
Base-Backbone interact. energy: 2.579
local terms energy: -129.111358
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -424.149341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.149341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.726229 (E_RNA)
where:
Base-Base interactions energy: -285.487
where: short stacking energy: -113.063
Base-Backbone interact. energy: 0.561
local terms energy: -139.800978
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -35.534
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: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -548.640398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.640398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.742756 (E_RNA)
where:
Base-Base interactions energy: -377.337
where: short stacking energy: -154.225
Base-Backbone interact. energy: 0.085
local terms energy: -172.491007
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -41.325
Dist. restrs. and SS energy: 1.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -537.895833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.895833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.320560 (E_RNA)
where:
Base-Base interactions energy: -375.472
where: short stacking energy: -154.165
Base-Backbone interact. energy: -0.821
local terms energy: -162.027592
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -44.487
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: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -523.327963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.327963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.380068 (E_RNA)
where:
Base-Base interactions energy: -355.548
where: short stacking energy: -147.689
Base-Backbone interact. energy: 0.010
local terms energy: -167.841795
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -45.597
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -529.050016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.050016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.514061 (E_RNA)
where:
Base-Base interactions energy: -360.365
where: short stacking energy: -146.774
Base-Backbone interact. energy: -2.880
local terms energy: -166.269248
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -44.480
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -510.515901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.515901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.920903 (E_RNA)
where:
Base-Base interactions energy: -357.036
where: short stacking energy: -127.495
Base-Backbone interact. energy: -1.008
local terms energy: -152.877819
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -31.541
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: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -457.146995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.146995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.992744 (E_RNA)
where:
Base-Base interactions energy: -313.320
where: short stacking energy: -127.960
Base-Backbone interact. energy: 1.806
local terms energy: -146.478674
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -30.668
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: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -468.244190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.244190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.545526 (E_RNA)
where:
Base-Base interactions energy: -326.254
where: short stacking energy: -121.957
Base-Backbone interact. energy: 0.275
local terms energy: -142.566487
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -35.629
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -36.052
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -446.435478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.435478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.690273 (E_RNA)
where:
Base-Base interactions energy: -311.916
where: short stacking energy: -121.136
Base-Backbone interact. energy: -0.468
local terms energy: -134.305354
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -28.891
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: 143
Temperature: 1.300000
Total energy: -437.232637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.232637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.880877 (E_RNA)
where:
Base-Base interactions energy: -306.302
where: short stacking energy: -123.270
Base-Backbone interact. energy: -0.207
local terms energy: -131.372112
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -29.558
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -434.911753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.911753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.489207 (E_RNA)
where:
Base-Base interactions energy: -287.967
where: short stacking energy: -111.214
Base-Backbone interact. energy: -1.115
local terms energy: -147.407523
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -33.591
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -546.831213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.354022 (E_RNA)
where:
Base-Base interactions energy: -375.074
where: short stacking energy: -141.575
Base-Backbone interact. energy: -0.454
local terms energy: -171.826798
where:
bonds (distance) C4'-P energy: -36.078
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -38.944
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: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -541.636154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.636154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.051940 (E_RNA)
where:
Base-Base interactions energy: -379.466
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.471
local terms energy: -162.114303
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -38.899
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -46.273
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -524.551981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.551981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.509691 (E_RNA)
where:
Base-Base interactions energy: -363.379
where: short stacking energy: -155.965
Base-Backbone interact. energy: -0.342
local terms energy: -161.788766
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -30.134
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -530.316851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.316851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.776208 (E_RNA)
where:
Base-Base interactions energy: -375.167
where: short stacking energy: -142.971
Base-Backbone interact. energy: 2.279
local terms energy: -157.887998
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -504.288298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.733378 (E_RNA)
where:
Base-Base interactions energy: -344.771
where: short stacking energy: -140.375
Base-Backbone interact. energy: -1.757
local terms energy: -158.205750
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -40.085
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -481.104561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.104561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.261756 (E_RNA)
where:
Base-Base interactions energy: -331.711
where: short stacking energy: -124.066
Base-Backbone interact. energy: -1.996
local terms energy: -147.554103
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -39.616
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: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -466.850139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.850139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.623066 (E_RNA)
where:
Base-Base interactions energy: -322.308
where: short stacking energy: -124.290
Base-Backbone interact. energy: -0.385
local terms energy: -144.929444
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -35.371
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: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -470.555204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.555204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.107757 (E_RNA)
where:
Base-Base interactions energy: -331.548
where: short stacking energy: -136.121
Base-Backbone interact. energy: 0.567
local terms energy: -140.127009
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -37.369
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: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -451.154678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.154678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.618571 (E_RNA)
where:
Base-Base interactions energy: -324.774
where: short stacking energy: -128.843
Base-Backbone interact. energy: -1.251
local terms energy: -125.593473
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -32.595
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -427.655612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.655612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.408700 (E_RNA)
where:
Base-Base interactions energy: -301.013
where: short stacking energy: -115.380
Base-Backbone interact. energy: -0.696
local terms energy: -126.699933
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -29.222
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -544.767189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.767189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.467840 (E_RNA)
where:
Base-Base interactions energy: -375.485
where: short stacking energy: -154.246
Base-Backbone interact. energy: 0.126
local terms energy: -170.108453
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -41.599
Dist. restrs. and SS energy: 0.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -527.615699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.615699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.950846 (E_RNA)
where:
Base-Base interactions energy: -371.348
where: short stacking energy: -152.711
Base-Backbone interact. energy: 0.817
local terms energy: -157.420209
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -45.835
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -531.884318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.884318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.281644 (E_RNA)
where:
Base-Base interactions energy: -362.644
where: short stacking energy: -154.458
Base-Backbone interact. energy: -0.751
local terms energy: -168.886291
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -42.058
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: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -528.853166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.577347 (E_RNA)
where:
Base-Base interactions energy: -373.424
where: short stacking energy: -147.808
Base-Backbone interact. energy: 1.504
local terms energy: -158.657729
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -38.093
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -519.418069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.418069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.552191 (E_RNA)
where:
Base-Base interactions energy: -359.303
where: short stacking energy: -146.941
Base-Backbone interact. energy: -0.175
local terms energy: -160.074015
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -39.665
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -44.649
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: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -476.019149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.019149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.920550 (E_RNA)
where:
Base-Base interactions energy: -329.232
where: short stacking energy: -128.855
Base-Backbone interact. energy: -0.892
local terms energy: -146.797224
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -32.815
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -37.124
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -427.627295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.627295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.334665 (E_RNA)
where:
Base-Base interactions energy: -303.407
where: short stacking energy: -110.773
Base-Backbone interact. energy: -1.328
local terms energy: -123.599432
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -30.818
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -451.073139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.073139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.250323 (E_RNA)
where:
Base-Base interactions energy: -311.914
where: short stacking energy: -119.103
Base-Backbone interact. energy: -0.843
local terms energy: -138.493592
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -39.420
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -435.727328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.727328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.445450 (E_RNA)
where:
Base-Base interactions energy: -305.636
where: short stacking energy: -125.652
Base-Backbone interact. energy: -0.429
local terms energy: -130.379774
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -25.397
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: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -428.130586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.130586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.508998 (E_RNA)
where:
Base-Base interactions energy: -315.181
where: short stacking energy: -108.233
Base-Backbone interact. energy: -0.334
local terms energy: -113.993206
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -555.916231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.916231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.449087 (E_RNA)
where:
Base-Base interactions energy: -377.158
where: short stacking energy: -159.783
Base-Backbone interact. energy: -0.391
local terms energy: -178.900261
where:
bonds (distance) C4'-P energy: -33.730
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -45.668
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: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -525.953476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.953476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.484181 (E_RNA)
where:
Base-Base interactions energy: -361.057
where: short stacking energy: -149.191
Base-Backbone interact. energy: -0.487
local terms energy: -164.940929
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -40.524
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: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -533.782257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.782257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.341131 (E_RNA)
where:
Base-Base interactions energy: -375.471
where: short stacking energy: -159.124
Base-Backbone interact. energy: -0.916
local terms energy: -157.954679
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -45.856
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -504.645734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.645734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.108368 (E_RNA)
where:
Base-Base interactions energy: -344.565
where: short stacking energy: -142.233
Base-Backbone interact. energy: -0.464
local terms energy: -160.078906
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -38.863
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: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -498.502661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.502661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.009153 (E_RNA)
where:
Base-Base interactions energy: -344.059
where: short stacking energy: -135.375
Base-Backbone interact. energy: 1.375
local terms energy: -156.325454
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -37.190
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: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -509.275520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.275520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.377385 (E_RNA)
where:
Base-Base interactions energy: -363.086
where: short stacking energy: -141.876
Base-Backbone interact. energy: -0.380
local terms energy: -145.911246
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: -39.648
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -461.266744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.266744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.033785 (E_RNA)
where:
Base-Base interactions energy: -321.667
where: short stacking energy: -126.785
Base-Backbone interact. energy: -0.664
local terms energy: -139.703271
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -31.988
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: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -449.928520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.928520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.201046 (E_RNA)
where:
Base-Base interactions energy: -314.842
where: short stacking energy: -119.732
Base-Backbone interact. energy: -0.448
local terms energy: -134.911366
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -29.480
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: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -439.602555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.602555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.874431 (E_RNA)
where:
Base-Base interactions energy: -304.920
where: short stacking energy: -113.448
Base-Backbone interact. energy: -0.715
local terms energy: -134.240045
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -430.856691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.856691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.987018 (E_RNA)
where:
Base-Base interactions energy: -291.948
where: short stacking energy: -112.373
Base-Backbone interact. energy: -1.220
local terms energy: -138.819636
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 1.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -544.106830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.106830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.747163 (E_RNA)
where:
Base-Base interactions energy: -372.491
where: short stacking energy: -154.766
Base-Backbone interact. energy: -0.465
local terms energy: -171.790266
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -540.970801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.970801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.270792 (E_RNA)
where:
Base-Base interactions energy: -370.208
where: short stacking energy: -159.238
Base-Backbone interact. energy: -1.025
local terms energy: -170.037568
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -49.731
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -532.203511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.203511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.502383 (E_RNA)
where:
Base-Base interactions energy: -363.039
where: short stacking energy: -144.474
Base-Backbone interact. energy: 1.677
local terms energy: -171.140383
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -517.011248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.011248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.746372 (E_RNA)
where:
Base-Base interactions energy: -366.246
where: short stacking energy: -136.806
Base-Backbone interact. energy: -0.314
local terms energy: -151.186475
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -31.745
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: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -488.710813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.710813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.966358 (E_RNA)
where:
Base-Base interactions energy: -331.066
where: short stacking energy: -128.876
Base-Backbone interact. energy: 0.403
local terms energy: -158.303178
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: -35.672
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: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -498.556929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.556929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.476605 (E_RNA)
where:
Base-Base interactions energy: -342.473
where: short stacking energy: -141.304
Base-Backbone interact. energy: -0.630
local terms energy: -156.373761
where:
bonds (distance) C4'-P energy: -34.135
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -36.149
Dist. restrs. and SS energy: 0.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -484.122693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.122693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.075241 (E_RNA)
where:
Base-Base interactions energy: -331.583
where: short stacking energy: -119.645
Base-Backbone interact. energy: -0.193
local terms energy: -153.299057
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -441.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.102602 (E_RNA)
where:
Base-Base interactions energy: -319.315
where: short stacking energy: -117.949
Base-Backbone interact. energy: 2.481
local terms energy: -125.269463
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -28.217
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -24.227
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: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -438.828728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.828728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.121781 (E_RNA)
where:
Base-Base interactions energy: -301.573
where: short stacking energy: -113.702
Base-Backbone interact. energy: -0.623
local terms energy: -136.926144
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -34.304
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -426.759578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.759578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.278986 (E_RNA)
where:
Base-Base interactions energy: -290.785
where: short stacking energy: -108.290
Base-Backbone interact. energy: 0.360
local terms energy: -136.853983
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -35.647
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -30.486
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -550.787693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.787693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.216365 (E_RNA)
where:
Base-Base interactions energy: -379.353
where: short stacking energy: -153.146
Base-Backbone interact. energy: 0.975
local terms energy: -172.837840
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -41.503
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -548.632661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.632661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.192761 (E_RNA)
where:
Base-Base interactions energy: -377.759
where: short stacking energy: -147.761
Base-Backbone interact. energy: -0.515
local terms energy: -170.919551
where:
bonds (distance) C4'-P energy: -33.002
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -37.108
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -45.663
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: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -499.643074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.643074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.662807 (E_RNA)
where:
Base-Base interactions energy: -354.539
where: short stacking energy: -134.383
Base-Backbone interact. energy: -0.936
local terms energy: -145.187491
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 1.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -509.373551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.373551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.810414 (E_RNA)
where:
Base-Base interactions energy: -344.281
where: short stacking energy: -139.191
Base-Backbone interact. energy: -1.698
local terms energy: -163.831945
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -45.459
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: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -479.972785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.972785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.644887 (E_RNA)
where:
Base-Base interactions energy: -323.083
where: short stacking energy: -122.758
Base-Backbone interact. energy: -1.412
local terms energy: -156.149293
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -30.981
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: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -483.038501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.038501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.320308 (E_RNA)
where:
Base-Base interactions energy: -327.995
where: short stacking energy: -138.033
Base-Backbone interact. energy: -1.041
local terms energy: -154.284105
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -38.704
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -467.882622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.882622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.313653 (E_RNA)
where:
Base-Base interactions energy: -327.812
where: short stacking energy: -127.055
Base-Backbone interact. energy: 0.184
local terms energy: -140.685758
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -38.851
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: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -456.225334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.225334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.805068 (E_RNA)
where:
Base-Base interactions energy: -325.254
where: short stacking energy: -117.239
Base-Backbone interact. energy: -0.800
local terms energy: -130.750603
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -31.285
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -438.525614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.525614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.628023 (E_RNA)
where:
Base-Base interactions energy: -308.577
where: short stacking energy: -120.205
Base-Backbone interact. energy: -0.417
local terms energy: -129.634092
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -33.106
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -396.964336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.964336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.877399 (E_RNA)
where:
Base-Base interactions energy: -271.026
where: short stacking energy: -99.993
Base-Backbone interact. energy: 0.098
local terms energy: -126.948959
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -554.565244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.565244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.274698 (E_RNA)
where:
Base-Base interactions energy: -382.419
where: short stacking energy: -149.080
Base-Backbone interact. energy: -1.005
local terms energy: -171.850530
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: -45.573
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -545.514903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.514903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.088973 (E_RNA)
where:
Base-Base interactions energy: -361.654
where: short stacking energy: -157.474
Base-Backbone interact. energy: -1.464
local terms energy: -182.971672
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -39.812
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -514.343727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.343727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.673240 (E_RNA)
where:
Base-Base interactions energy: -359.374
where: short stacking energy: -128.556
Base-Backbone interact. energy: -0.545
local terms energy: -154.754608
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -512.800448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.800448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.571034 (E_RNA)
where:
Base-Base interactions energy: -354.612
where: short stacking energy: -148.115
Base-Backbone interact. energy: 0.247
local terms energy: -159.205221
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -42.886
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -487.505708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.505708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.001398 (E_RNA)
where:
Base-Base interactions energy: -340.466
where: short stacking energy: -134.469
Base-Backbone interact. energy: -1.427
local terms energy: -146.108407
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -465.202239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.202239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.839864 (E_RNA)
where:
Base-Base interactions energy: -328.246
where: short stacking energy: -137.529
Base-Backbone interact. energy: 1.437
local terms energy: -139.030861
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -38.333
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: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -466.291185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.291185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.757793 (E_RNA)
where:
Base-Base interactions energy: -318.641
where: short stacking energy: -124.032
Base-Backbone interact. energy: -0.728
local terms energy: -147.388671
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -34.460
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -30.627
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -474.986976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.986976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.014877 (E_RNA)
where:
Base-Base interactions energy: -332.221
where: short stacking energy: -129.239
Base-Backbone interact. energy: -0.512
local terms energy: -142.282141
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -37.013
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: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -448.247175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.247175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.237963 (E_RNA)
where:
Base-Base interactions energy: -313.407
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.882
local terms energy: -134.948752
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -31.639
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: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -413.003098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.003098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.398167 (E_RNA)
where:
Base-Base interactions energy: -267.947
where: short stacking energy: -96.993
Base-Backbone interact. energy: -1.740
local terms energy: -143.711212
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -563.948085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.948085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.316194 (E_RNA)
where:
Base-Base interactions energy: -389.927
where: short stacking energy: -158.830
Base-Backbone interact. energy: -0.720
local terms energy: -173.668934
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -542.529617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.529617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.767802 (E_RNA)
where:
Base-Base interactions energy: -370.313
where: short stacking energy: -145.696
Base-Backbone interact. energy: -0.584
local terms energy: -171.870827
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -45.833
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: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -539.035700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.035700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.844018 (E_RNA)
where:
Base-Base interactions energy: -367.253
where: short stacking energy: -158.273
Base-Backbone interact. energy: -1.069
local terms energy: -171.522225
where:
bonds (distance) C4'-P energy: -35.446
bonds (distance) P-C4' energy: -34.208
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -43.879
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -503.033126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.033126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.488618 (E_RNA)
where:
Base-Base interactions energy: -363.111
where: short stacking energy: -143.914
Base-Backbone interact. energy: 1.302
local terms energy: -141.679885
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -33.372
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -497.225393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.225393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.376483 (E_RNA)
where:
Base-Base interactions energy: -347.219
where: short stacking energy: -135.330
Base-Backbone interact. energy: -1.607
local terms energy: -148.550060
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -34.559
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -480.233261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.233261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.889012 (E_RNA)
where:
Base-Base interactions energy: -337.743
where: short stacking energy: -132.044
Base-Backbone interact. energy: -1.219
local terms energy: -141.926719
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -34.293
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -492.608246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.608246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.222859 (E_RNA)
where:
Base-Base interactions energy: -339.824
where: short stacking energy: -140.327
Base-Backbone interact. energy: -1.601
local terms energy: -151.797788
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -41.005
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: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -450.848399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.848399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.245494 (E_RNA)
where:
Base-Base interactions energy: -303.159
where: short stacking energy: -122.077
Base-Backbone interact. energy: -0.407
local terms energy: -147.679077
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -35.751
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -30.954
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: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -447.299837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.299837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.078616 (E_RNA)
where:
Base-Base interactions energy: -296.448
where: short stacking energy: -116.037
Base-Backbone interact. energy: -0.760
local terms energy: -150.870160
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -35.384
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -410.796734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.796734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.205815 (E_RNA)
where:
Base-Base interactions energy: -279.196
where: short stacking energy: -104.991
Base-Backbone interact. energy: -0.786
local terms energy: -131.223917
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -33.853
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: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -561.521682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.521682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.088405 (E_RNA)
where:
Base-Base interactions energy: -388.626
where: short stacking energy: -161.544
Base-Backbone interact. energy: -1.240
local terms energy: -172.223181
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -39.350
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -46.432
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -539.348549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.348549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.787824 (E_RNA)
where:
Base-Base interactions energy: -373.686
where: short stacking energy: -143.592
Base-Backbone interact. energy: -0.457
local terms energy: -165.644284
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -30.149
tors. eta vs tors. theta energy: -38.843
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: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -526.142153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.142153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.804372 (E_RNA)
where:
Base-Base interactions energy: -359.089
where: short stacking energy: -154.596
Base-Backbone interact. energy: -0.608
local terms energy: -167.107171
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -48.307
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -503.781387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.781387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.035234 (E_RNA)
where:
Base-Base interactions energy: -350.666
where: short stacking energy: -134.368
Base-Backbone interact. energy: -0.474
local terms energy: -152.895081
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -32.723
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -478.653390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.653390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.889327 (E_RNA)
where:
Base-Base interactions energy: -330.299
where: short stacking energy: -123.238
Base-Backbone interact. energy: -1.428
local terms energy: -147.162819
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -32.446
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -470.268338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.268338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.812789 (E_RNA)
where:
Base-Base interactions energy: -320.577
where: short stacking energy: -127.721
Base-Backbone interact. energy: -0.264
local terms energy: -149.971645
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -27.941
flat angles C4'-P-C4' energy: -34.677
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -39.737
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: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -491.757757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.757757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.523683 (E_RNA)
where:
Base-Base interactions energy: -340.643
where: short stacking energy: -146.096
Base-Backbone interact. energy: -0.987
local terms energy: -150.893019
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -39.866
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: 151
Temperature: 1.250000
Total energy: -454.161886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.161886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.600289 (E_RNA)
where:
Base-Base interactions energy: -317.185
where: short stacking energy: -132.453
Base-Backbone interact. energy: -0.705
local terms energy: -136.710397
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -33.979
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -464.414268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.414268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.882903 (E_RNA)
where:
Base-Base interactions energy: -329.051
where: short stacking energy: -120.742
Base-Backbone interact. energy: -0.465
local terms energy: -137.366520
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -407.640612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.640612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.895436 (E_RNA)
where:
Base-Base interactions energy: -279.864
where: short stacking energy: -107.841
Base-Backbone interact. energy: -1.480
local terms energy: -126.551501
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -546.811798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.811798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.019653 (E_RNA)
where:
Base-Base interactions energy: -380.208
where: short stacking energy: -144.625
Base-Backbone interact. energy: -0.659
local terms energy: -167.152561
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -37.984
Dist. restrs. and SS energy: 1.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -560.339084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.339084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.997875 (E_RNA)
where:
Base-Base interactions energy: -386.139
where: short stacking energy: -158.198
Base-Backbone interact. energy: -1.130
local terms energy: -173.727929
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -45.652
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: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -528.634656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.634656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.775769 (E_RNA)
where:
Base-Base interactions energy: -364.930
where: short stacking energy: -140.547
Base-Backbone interact. energy: -1.180
local terms energy: -162.665047
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -38.258
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: 152
Temperature: 1.050000
Total energy: -523.858634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.858634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.401946 (E_RNA)
where:
Base-Base interactions energy: -361.704
where: short stacking energy: -158.138
Base-Backbone interact. energy: 0.256
local terms energy: -162.953927
where:
bonds (distance) C4'-P energy: -32.019
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -45.362
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -476.622251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.622251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.714535 (E_RNA)
where:
Base-Base interactions energy: -317.221
where: short stacking energy: -125.037
Base-Backbone interact. energy: -0.675
local terms energy: -159.818272
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -36.853
Dist. restrs. and SS energy: 1.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -484.998702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.998702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.372184 (E_RNA)
where:
Base-Base interactions energy: -335.925
where: short stacking energy: -137.295
Base-Backbone interact. energy: -0.547
local terms energy: -148.900581
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -38.948
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: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -482.235335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.235335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.752194 (E_RNA)
where:
Base-Base interactions energy: -340.517
where: short stacking energy: -132.067
Base-Backbone interact. energy: -1.705
local terms energy: -140.529873
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -34.039
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: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -453.225381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.225381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.061830 (E_RNA)
where:
Base-Base interactions energy: -306.124
where: short stacking energy: -128.290
Base-Backbone interact. energy: -1.022
local terms energy: -146.916057
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -38.838
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: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -422.381184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.381184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.436694 (E_RNA)
where:
Base-Base interactions energy: -295.553
where: short stacking energy: -113.458
Base-Backbone interact. energy: -0.811
local terms energy: -130.072913
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 4.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -413.505534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.505534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.789254 (E_RNA)
where:
Base-Base interactions energy: -295.609
where: short stacking energy: -105.518
Base-Backbone interact. energy: -0.441
local terms energy: -118.739454
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -25.127
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -555.190656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.190656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.288493 (E_RNA)
where:
Base-Base interactions energy: -395.372
where: short stacking energy: -152.819
Base-Backbone interact. energy: -1.372
local terms energy: -159.543744
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -25.858
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -40.711
Dist. restrs. and SS energy: 1.098 (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: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -542.042126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.042126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.397963 (E_RNA)
where:
Base-Base interactions energy: -377.432
where: short stacking energy: -152.467
Base-Backbone interact. energy: -0.656
local terms energy: -165.310405
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -43.940
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -515.758370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.758370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.885088 (E_RNA)
where:
Base-Base interactions energy: -354.704
where: short stacking energy: -143.300
Base-Backbone interact. energy: -0.571
local terms energy: -160.610430
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -39.223
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: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -522.781068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.781068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.358652 (E_RNA)
where:
Base-Base interactions energy: -363.490
where: short stacking energy: -152.315
Base-Backbone interact. energy: -1.299
local terms energy: -158.569865
where:
bonds (distance) C4'-P energy: -34.678
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -43.053
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: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -486.271367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.271367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.353047 (E_RNA)
where:
Base-Base interactions energy: -334.352
where: short stacking energy: -139.330
Base-Backbone interact. energy: -0.855
local terms energy: -152.146553
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -486.015249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.015249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.370662 (E_RNA)
where:
Base-Base interactions energy: -342.235
where: short stacking energy: -140.255
Base-Backbone interact. energy: -1.108
local terms energy: -143.027680
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -40.710
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: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -467.352289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.352289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.665802 (E_RNA)
where:
Base-Base interactions energy: -343.347
where: short stacking energy: -139.185
Base-Backbone interact. energy: -0.250
local terms energy: -124.069322
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -37.535
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -25.921
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: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -445.142154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.142154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.050169 (E_RNA)
where:
Base-Base interactions energy: -313.220
where: short stacking energy: -129.993
Base-Backbone interact. energy: 0.204
local terms energy: -137.033844
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 4.908 (S_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: 153
Temperature: 1.300000
Total energy: -441.488097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.488097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.554390 (E_RNA)
where:
Base-Base interactions energy: -308.573
where: short stacking energy: -120.050
Base-Backbone interact. energy: 0.005
local terms energy: -133.985936
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -37.351
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: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -411.125988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.125988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.312896 (E_RNA)
where:
Base-Base interactions energy: -291.197
where: short stacking energy: -116.841
Base-Backbone interact. energy: 2.531
local terms energy: -123.646951
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -30.832
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: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -561.253427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.253427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.712761 (E_RNA)
where:
Base-Base interactions energy: -384.793
where: short stacking energy: -158.151
Base-Backbone interact. energy: -1.660
local terms energy: -175.259974
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -47.138
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: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -539.140642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.140642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.578535 (E_RNA)
where:
Base-Base interactions energy: -381.490
where: short stacking energy: -152.468
Base-Backbone interact. energy: -1.044
local terms energy: -157.044692
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -37.716
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: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -531.378021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.378021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.437644 (E_RNA)
where:
Base-Base interactions energy: -369.111
where: short stacking energy: -156.941
Base-Backbone interact. energy: -0.538
local terms energy: -162.789121
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -45.659
Dist. restrs. and SS energy: 1.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -498.757889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.757889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.914846 (E_RNA)
where:
Base-Base interactions energy: -347.792
where: short stacking energy: -134.280
Base-Backbone interact. energy: -1.246
local terms energy: -149.876589
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -31.429
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: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -517.005210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.005210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.494849 (E_RNA)
where:
Base-Base interactions energy: -356.724
where: short stacking energy: -148.958
Base-Backbone interact. energy: -2.105
local terms energy: -158.666156
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -43.754
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: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -512.264082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.264082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.626029 (E_RNA)
where:
Base-Base interactions energy: -357.207
where: short stacking energy: -144.902
Base-Backbone interact. energy: -0.390
local terms energy: -155.028924
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -41.442
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: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -457.913766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.913766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.412031 (E_RNA)
where:
Base-Base interactions energy: -336.139
where: short stacking energy: -136.120
Base-Backbone interact. energy: 1.451
local terms energy: -129.723594
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -30.164
Dist. restrs. and SS energy: 6.498 (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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -457.301344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.301344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.250278 (E_RNA)
where:
Base-Base interactions energy: -315.704
where: short stacking energy: -118.486
Base-Backbone interact. energy: -0.536
local terms energy: -142.010552
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -35.523
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -454.788811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.788811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.174659 (E_RNA)
where:
Base-Base interactions energy: -313.046
where: short stacking energy: -133.610
Base-Backbone interact. energy: -1.826
local terms energy: -140.302466
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -35.381
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -416.315306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.315306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.693014 (E_RNA)
where:
Base-Base interactions energy: -296.563
where: short stacking energy: -124.214
Base-Backbone interact. energy: -0.914
local terms energy: -119.216656
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -24.798
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: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -556.623668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.623668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.463859 (E_RNA)
where:
Base-Base interactions energy: -382.121
where: short stacking energy: -152.560
Base-Backbone interact. energy: 4.659
local terms energy: -180.001329
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -40.279
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -550.410626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.410626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.475261 (E_RNA)
where:
Base-Base interactions energy: -386.151
where: short stacking energy: -152.267
Base-Backbone interact. energy: -1.279
local terms energy: -164.045094
where:
bonds (distance) C4'-P energy: -36.998
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -33.402
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 1.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -539.174317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.174317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.785771 (E_RNA)
where:
Base-Base interactions energy: -373.855
where: short stacking energy: -156.888
Base-Backbone interact. energy: 0.535
local terms energy: -166.466487
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -38.692
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -40.825
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: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -516.791334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.791334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.230419 (E_RNA)
where:
Base-Base interactions energy: -351.142
where: short stacking energy: -142.551
Base-Backbone interact. energy: -1.154
local terms energy: -164.934431
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -38.313
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -491.361919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.361919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.536833 (E_RNA)
where:
Base-Base interactions energy: -346.075
where: short stacking energy: -132.465
Base-Backbone interact. energy: -1.700
local terms energy: -143.761607
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -498.254342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.254342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.829680 (E_RNA)
where:
Base-Base interactions energy: -351.728
where: short stacking energy: -132.543
Base-Backbone interact. energy: -2.330
local terms energy: -144.772242
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -39.631
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -460.781356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.781356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.950554 (E_RNA)
where:
Base-Base interactions energy: -323.908
where: short stacking energy: -122.606
Base-Backbone interact. energy: -0.291
local terms energy: -142.751971
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -33.222
Dist. restrs. and SS energy: 6.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -479.616444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.616444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.616332 (E_RNA)
where:
Base-Base interactions energy: -327.545
where: short stacking energy: -131.149
Base-Backbone interact. energy: -0.329
local terms energy: -152.741475
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -38.050
Dist. restrs. and SS energy: 1.000 (S_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: 155
Temperature: 1.300000
Total energy: -446.653222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.653222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.189170 (E_RNA)
where:
Base-Base interactions energy: -314.612
where: short stacking energy: -120.540
Base-Backbone interact. energy: -0.391
local terms energy: -132.186013
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -27.447
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: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -415.050351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.050351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.641856 (E_RNA)
where:
Base-Base interactions energy: -287.174
where: short stacking energy: -111.040
Base-Backbone interact. energy: -0.353
local terms energy: -130.114595
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 2.592 (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: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -553.212811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.212811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.584864 (E_RNA)
where:
Base-Base interactions energy: -385.018
where: short stacking energy: -157.719
Base-Backbone interact. energy: 1.965
local terms energy: -170.531996
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -46.731
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: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -528.102395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.102395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.795826 (E_RNA)
where:
Base-Base interactions energy: -358.296
where: short stacking energy: -138.628
Base-Backbone interact. energy: -0.300
local terms energy: -170.199551
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -40.001
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -534.796046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.796046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.942003 (E_RNA)
where:
Base-Base interactions energy: -368.306
where: short stacking energy: -150.770
Base-Backbone interact. energy: -0.727
local terms energy: -166.909079
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -45.087
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -516.731069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.731069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.296940 (E_RNA)
where:
Base-Base interactions energy: -343.773
where: short stacking energy: -147.893
Base-Backbone interact. energy: -0.602
local terms energy: -172.921704
where:
bonds (distance) C4'-P energy: -34.657
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -41.276
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -499.497238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.497238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.683370 (E_RNA)
where:
Base-Base interactions energy: -346.004
where: short stacking energy: -150.022
Base-Backbone interact. energy: -0.536
local terms energy: -153.143879
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -40.834
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: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -477.081300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.081300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.474079 (E_RNA)
where:
Base-Base interactions energy: -329.458
where: short stacking energy: -135.713
Base-Backbone interact. energy: 0.596
local terms energy: -148.611993
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -40.234
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -474.624332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.624332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.233349 (E_RNA)
where:
Base-Base interactions energy: -334.102
where: short stacking energy: -133.853
Base-Backbone interact. energy: -0.629
local terms energy: -140.502720
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -40.147
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -448.927606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.927606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.785189 (E_RNA)
where:
Base-Base interactions energy: -322.482
where: short stacking energy: -123.415
Base-Backbone interact. energy: -1.208
local terms energy: -128.095198
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -411.130282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.130282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.602476 (E_RNA)
where:
Base-Base interactions energy: -286.560
where: short stacking energy: -117.663
Base-Backbone interact. energy: -0.166
local terms energy: -126.876315
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -462.134904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.134904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.344196 (E_RNA)
where:
Base-Base interactions energy: -328.162
where: short stacking energy: -147.250
Base-Backbone interact. energy: -1.959
local terms energy: -132.223337
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -36.704
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -545.737390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.737390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.956396 (E_RNA)
where:
Base-Base interactions energy: -381.879
where: short stacking energy: -155.261
Base-Backbone interact. energy: -1.460
local terms energy: -162.616861
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -37.125
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -42.666
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: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -545.889271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.889271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.419288 (E_RNA)
where:
Base-Base interactions energy: -378.607
where: short stacking energy: -158.495
Base-Backbone interact. energy: -2.303
local terms energy: -165.508788
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -47.920
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -529.200274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.200274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.088891 (E_RNA)
where:
Base-Base interactions energy: -364.915
where: short stacking energy: -155.637
Base-Backbone interact. energy: -0.664
local terms energy: -164.510251
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -47.423
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: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -528.296960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.296960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.448011 (E_RNA)
where:
Base-Base interactions energy: -364.126
where: short stacking energy: -152.722
Base-Backbone interact. energy: -1.194
local terms energy: -163.127537
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -40.897
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -501.459983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.459983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.645535 (E_RNA)
where:
Base-Base interactions energy: -346.010
where: short stacking energy: -136.497
Base-Backbone interact. energy: 0.112
local terms energy: -155.747993
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -33.396
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: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -487.253575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.253575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.459211 (E_RNA)
where:
Base-Base interactions energy: -328.456
where: short stacking energy: -133.772
Base-Backbone interact. energy: -0.744
local terms energy: -158.259266
where:
bonds (distance) C4'-P energy: -33.516
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -42.604
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: 157
Temperature: 1.200000
Total energy: -482.062715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.062715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.994648 (E_RNA)
where:
Base-Base interactions energy: -335.946
where: short stacking energy: -133.615
Base-Backbone interact. energy: -1.316
local terms energy: -145.733192
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -453.042012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.042012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.449453 (E_RNA)
where:
Base-Base interactions energy: -333.488
where: short stacking energy: -122.765
Base-Backbone interact. energy: -0.133
local terms energy: -122.829069
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -32.030
Dist. restrs. and SS energy: 3.407 (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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -429.672044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.672044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.687530 (E_RNA)
where:
Base-Base interactions energy: -308.268
where: short stacking energy: -110.659
Base-Backbone interact. energy: -0.236
local terms energy: -124.183335
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -407.104889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.104889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.970344 (E_RNA)
where:
Base-Base interactions energy: -282.671
where: short stacking energy: -102.177
Base-Backbone interact. energy: -1.277
local terms energy: -124.022248
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -564.543561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.543561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.638386 (E_RNA)
where:
Base-Base interactions energy: -390.355
where: short stacking energy: -161.697
Base-Backbone interact. energy: -1.387
local terms energy: -173.896744
where:
bonds (distance) C4'-P energy: -30.198
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -45.810
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -537.748334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.748334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.055322 (E_RNA)
where:
Base-Base interactions energy: -368.894
where: short stacking energy: -154.315
Base-Backbone interact. energy: -1.967
local terms energy: -167.194732
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -33.926
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -541.296263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.296263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.683580 (E_RNA)
where:
Base-Base interactions energy: -372.406
where: short stacking energy: -148.257
Base-Backbone interact. energy: -1.071
local terms energy: -168.206653
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -41.516
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: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -521.477949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.477949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.718662 (E_RNA)
where:
Base-Base interactions energy: -354.493
where: short stacking energy: -160.904
Base-Backbone interact. energy: 1.374
local terms energy: -168.600068
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -39.774
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -44.936
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -485.030576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.030576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.478770 (E_RNA)
where:
Base-Base interactions energy: -349.304
where: short stacking energy: -132.965
Base-Backbone interact. energy: -0.037
local terms energy: -136.137372
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -35.343
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -492.203330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.203330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.398726 (E_RNA)
where:
Base-Base interactions energy: -342.812
where: short stacking energy: -141.290
Base-Backbone interact. energy: -1.053
local terms energy: -148.533348
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -41.516
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -461.704609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.704609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.429373 (E_RNA)
where:
Base-Base interactions energy: -338.042
where: short stacking energy: -130.851
Base-Backbone interact. energy: 2.026
local terms energy: -129.412587
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -30.614
Dist. restrs. and SS energy: 3.725 (S_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: 158
Temperature: 1.250000
Total energy: -487.601704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.601704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.871646 (E_RNA)
where:
Base-Base interactions energy: -344.808
where: short stacking energy: -128.053
Base-Backbone interact. energy: -0.797
local terms energy: -142.266625
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -41.744
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -437.246523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.246523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.589269 (E_RNA)
where:
Base-Base interactions energy: -298.519
where: short stacking energy: -112.512
Base-Backbone interact. energy: -1.763
local terms energy: -137.306441
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -27.845
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: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -441.856544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.856544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.483161 (E_RNA)
where:
Base-Base interactions energy: -307.472
where: short stacking energy: -119.573
Base-Backbone interact. energy: -0.900
local terms energy: -134.111586
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -35.357
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: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -564.856493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.856493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.663523 (E_RNA)
where:
Base-Base interactions energy: -381.506
where: short stacking energy: -145.616
Base-Backbone interact. energy: -1.006
local terms energy: -183.151718
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -45.644
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: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -546.795146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.795146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.107161 (E_RNA)
where:
Base-Base interactions energy: -375.652
where: short stacking energy: -159.990
Base-Backbone interact. energy: -0.624
local terms energy: -170.831240
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -41.454
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: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -525.893503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.893503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.005329 (E_RNA)
where:
Base-Base interactions energy: -356.440
where: short stacking energy: -151.298
Base-Backbone interact. energy: -2.244
local terms energy: -167.321911
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -37.095
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -42.959
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -496.207197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.207197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.348143 (E_RNA)
where:
Base-Base interactions energy: -343.998
where: short stacking energy: -127.524
Base-Backbone interact. energy: -1.081
local terms energy: -151.269273
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -37.991
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -501.140718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.140718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.658951 (E_RNA)
where:
Base-Base interactions energy: -345.864
where: short stacking energy: -146.925
Base-Backbone interact. energy: -1.171
local terms energy: -154.624600
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -42.934
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -479.610351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.610351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.103514 (E_RNA)
where:
Base-Base interactions energy: -329.638
where: short stacking energy: -134.342
Base-Backbone interact. energy: -1.446
local terms energy: -149.019809
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -38.419
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -450.880898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.880898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.372731 (E_RNA)
where:
Base-Base interactions energy: -316.090
where: short stacking energy: -124.364
Base-Backbone interact. energy: 0.259
local terms energy: -139.541349
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -33.987
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -460.878930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.878930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.101369 (E_RNA)
where:
Base-Base interactions energy: -330.050
where: short stacking energy: -118.379
Base-Backbone interact. energy: -0.739
local terms energy: -131.312089
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 1.222 (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: 159
Temperature: 1.300000
Total energy: -434.081155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.081155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.984335 (E_RNA)
where:
Base-Base interactions energy: -296.073
where: short stacking energy: -109.307
Base-Backbone interact. energy: -0.330
local terms energy: -138.581245
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -418.968090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.968090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.709381 (E_RNA)
where:
Base-Base interactions energy: -292.124
where: short stacking energy: -104.521
Base-Backbone interact. energy: -0.491
local terms energy: -127.094350
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -26.298
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -560.187086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.187086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.532929 (E_RNA)
where:
Base-Base interactions energy: -391.670
where: short stacking energy: -157.194
Base-Backbone interact. energy: -1.362
local terms energy: -167.501430
where:
bonds (distance) C4'-P energy: -34.517
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -555.380693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.380693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.502299 (E_RNA)
where:
Base-Base interactions energy: -375.822
where: short stacking energy: -159.544
Base-Backbone interact. energy: -1.990
local terms energy: -177.690346
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -46.952
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -531.195970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.195970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.422197 (E_RNA)
where:
Base-Base interactions energy: -361.845
where: short stacking energy: -154.256
Base-Backbone interact. energy: 0.467
local terms energy: -170.043910
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -43.605
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -506.396642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.396642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.524519 (E_RNA)
where:
Base-Base interactions energy: -349.884
where: short stacking energy: -147.724
Base-Backbone interact. energy: -1.751
local terms energy: -154.890203
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -42.668
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: 160
Temperature: 1.100000
Total energy: -503.552780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.552780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.090019 (E_RNA)
where:
Base-Base interactions energy: -345.896
where: short stacking energy: -140.311
Base-Backbone interact. energy: 0.377
local terms energy: -159.571216
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -41.503
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -477.352175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.352175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.713343 (E_RNA)
where:
Base-Base interactions energy: -335.073
where: short stacking energy: -136.891
Base-Backbone interact. energy: -0.564
local terms energy: -142.076863
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -36.093
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: 160
Temperature: 1.200000
Total energy: -475.644003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.644003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.108107 (E_RNA)
where:
Base-Base interactions energy: -332.408
where: short stacking energy: -126.664
Base-Backbone interact. energy: -0.590
local terms energy: -143.109891
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -34.213
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -33.226
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: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -440.470593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.470593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.768935 (E_RNA)
where:
Base-Base interactions energy: -293.260
where: short stacking energy: -111.261
Base-Backbone interact. energy: 2.436
local terms energy: -154.945144
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 5.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -425.618720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.618720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.939672 (E_RNA)
where:
Base-Base interactions energy: -294.450
where: short stacking energy: -111.235
Base-Backbone interact. energy: -1.863
local terms energy: -130.626644
where:
bonds (distance) C4'-P energy: -28.954
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -433.672445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.672445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.426241 (E_RNA)
where:
Base-Base interactions energy: -290.981
where: short stacking energy: -113.459
Base-Backbone interact. energy: -1.293
local terms energy: -142.152852
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -558.039358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.702430 (E_RNA)
where:
Base-Base interactions energy: -384.616
where: short stacking energy: -142.214
Base-Backbone interact. energy: -0.267
local terms energy: -173.819444
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -36.373
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -43.152
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -544.593274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.593274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.662070 (E_RNA)
where:
Base-Base interactions energy: -379.036
where: short stacking energy: -158.242
Base-Backbone interact. energy: -0.705
local terms energy: -164.920568
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -38.328
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: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -524.057558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.057558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.319118 (E_RNA)
where:
Base-Base interactions energy: -351.394
where: short stacking energy: -135.494
Base-Backbone interact. energy: -3.371
local terms energy: -169.553524
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: -41.060
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: 161
Temperature: 1.050000
Total energy: -505.665447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.665447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.037460 (E_RNA)
where:
Base-Base interactions energy: -345.082
where: short stacking energy: -135.548
Base-Backbone interact. energy: 0.888
local terms energy: -161.843317
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -36.246
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: 161
Temperature: 1.100000
Total energy: -494.331801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.331801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.252805 (E_RNA)
where:
Base-Base interactions energy: -345.070
where: short stacking energy: -138.519
Base-Backbone interact. energy: 0.071
local terms energy: -150.254291
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -29.585
flat angles C4'-P-C4' energy: -37.692
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -489.661636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.661636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.064715 (E_RNA)
where:
Base-Base interactions energy: -352.431
where: short stacking energy: -139.247
Base-Backbone interact. energy: -0.580
local terms energy: -137.053860
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -38.051
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: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -478.654669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.654669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.755547 (E_RNA)
where:
Base-Base interactions energy: -333.698
where: short stacking energy: -135.722
Base-Backbone interact. energy: 1.826
local terms energy: -146.882999
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -43.730
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: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -433.858351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.858351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.011747 (E_RNA)
where:
Base-Base interactions energy: -305.740
where: short stacking energy: -117.357
Base-Backbone interact. energy: -0.659
local terms energy: -133.612145
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -30.936
Dist. restrs. and SS energy: 6.153 (S_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: 161
Temperature: 1.300000
Total energy: -432.244120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.244120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.554230 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -111.006
Base-Backbone interact. energy: -0.069
local terms energy: -142.134605
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 8.310 (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: 161
Temperature: 1.350000
Total energy: -425.370945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.370945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.768044 (E_RNA)
where:
Base-Base interactions energy: -309.381
where: short stacking energy: -113.868
Base-Backbone interact. energy: -0.929
local terms energy: -115.458225
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -23.104
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: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -567.965941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.965941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.115853 (E_RNA)
where:
Base-Base interactions energy: -391.688
where: short stacking energy: -159.633
Base-Backbone interact. energy: 1.966
local terms energy: -178.394567
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -46.737
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -539.518365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.518365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.095660 (E_RNA)
where:
Base-Base interactions energy: -370.994
where: short stacking energy: -153.971
Base-Backbone interact. energy: -0.233
local terms energy: -168.868718
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -41.165
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: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -514.877086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.877086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.494443 (E_RNA)
where:
Base-Base interactions energy: -355.072
where: short stacking energy: -150.946
Base-Backbone interact. energy: -1.132
local terms energy: -159.290903
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -39.877
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -506.321017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.321017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.898086 (E_RNA)
where:
Base-Base interactions energy: -358.101
where: short stacking energy: -151.460
Base-Backbone interact. energy: -0.550
local terms energy: -148.247534
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -38.023
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -489.633156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.633156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.920449 (E_RNA)
where:
Base-Base interactions energy: -340.860
where: short stacking energy: -128.578
Base-Backbone interact. energy: -0.978
local terms energy: -148.082899
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -36.849
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -479.932272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.932272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.962182 (E_RNA)
where:
Base-Base interactions energy: -329.414
where: short stacking energy: -132.848
Base-Backbone interact. energy: -0.861
local terms energy: -150.687294
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -466.036070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.036070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.371347 (E_RNA)
where:
Base-Base interactions energy: -332.062
where: short stacking energy: -135.087
Base-Backbone interact. energy: 0.229
local terms energy: -140.538335
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 6.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -461.815511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.815511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.199282 (E_RNA)
where:
Base-Base interactions energy: -314.194
where: short stacking energy: -131.526
Base-Backbone interact. energy: -0.328
local terms energy: -149.676620
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -40.760
Dist. restrs. and SS energy: 2.384 (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: 162
Temperature: 1.300000
Total energy: -427.202125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.202125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.478434 (E_RNA)
where:
Base-Base interactions energy: -301.677
where: short stacking energy: -122.300
Base-Backbone interact. energy: -1.169
local terms energy: -126.631944
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 2.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -403.086148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.086148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.088246 (E_RNA)
where:
Base-Base interactions energy: -299.375
where: short stacking energy: -105.964
Base-Backbone interact. energy: 2.311
local terms energy: -107.024823
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -21.445
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: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -553.059152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.059152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.300970 (E_RNA)
where:
Base-Base interactions energy: -382.349
where: short stacking energy: -160.951
Base-Backbone interact. energy: -0.532
local terms energy: -170.419991
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -42.309
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -537.277808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.277808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.486512 (E_RNA)
where:
Base-Base interactions energy: -378.030
where: short stacking energy: -149.948
Base-Backbone interact. energy: -1.005
local terms energy: -158.451599
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -38.789
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: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -518.247663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.247663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.711444 (E_RNA)
where:
Base-Base interactions energy: -359.305
where: short stacking energy: -146.720
Base-Backbone interact. energy: -0.797
local terms energy: -158.609951
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -41.100
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -516.385080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.385080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.228684 (E_RNA)
where:
Base-Base interactions energy: -352.417
where: short stacking energy: -136.629
Base-Backbone interact. energy: -1.142
local terms energy: -164.669192
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -40.280
Dist. restrs. and SS energy: 1.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -489.072806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.072806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.350183 (E_RNA)
where:
Base-Base interactions energy: -341.419
where: short stacking energy: -137.985
Base-Backbone interact. energy: 0.880
local terms energy: -148.810769
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -36.268
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: 163
Temperature: 1.150000
Total energy: -490.863224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.863224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.402727 (E_RNA)
where:
Base-Base interactions energy: -321.681
where: short stacking energy: -125.942
Base-Backbone interact. energy: -0.787
local terms energy: -168.934152
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -45.839
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: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -448.235045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.235045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.887721 (E_RNA)
where:
Base-Base interactions energy: -303.609
where: short stacking energy: -125.129
Base-Backbone interact. energy: -0.913
local terms energy: -149.365333
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -34.374
Dist. restrs. and SS energy: 5.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -433.241540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.241540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.620346 (E_RNA)
where:
Base-Base interactions energy: -293.388
where: short stacking energy: -115.976
Base-Backbone interact. energy: 1.593
local terms energy: -141.825357
where:
bonds (distance) C4'-P energy: -34.540
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -31.688
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: 163
Temperature: 1.300000
Total energy: -445.955467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.955467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.044163 (E_RNA)
where:
Base-Base interactions energy: -304.694
where: short stacking energy: -112.134
Base-Backbone interact. energy: -1.033
local terms energy: -141.317557
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -402.320899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.320899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.218608 (E_RNA)
where:
Base-Base interactions energy: -279.116
where: short stacking energy: -92.019
Base-Backbone interact. energy: -0.378
local terms energy: -123.724833
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -18.327
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: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -544.974081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.974081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.261734 (E_RNA)
where:
Base-Base interactions energy: -371.754
where: short stacking energy: -149.160
Base-Backbone interact. energy: -0.122
local terms energy: -173.385978
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -40.863
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -540.808042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.808042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.041417 (E_RNA)
where:
Base-Base interactions energy: -376.068
where: short stacking energy: -157.515
Base-Backbone interact. energy: -0.456
local terms energy: -164.517203
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -46.765
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -517.341677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.341677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.760115 (E_RNA)
where:
Base-Base interactions energy: -357.209
where: short stacking energy: -143.961
Base-Backbone interact. energy: 2.054
local terms energy: -162.605583
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: -39.899
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -521.489384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.489384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.097749 (E_RNA)
where:
Base-Base interactions energy: -371.805
where: short stacking energy: -154.157
Base-Backbone interact. energy: -0.050
local terms energy: -155.243180
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 5.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -493.150218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.150218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.345665 (E_RNA)
where:
Base-Base interactions energy: -344.818
where: short stacking energy: -139.408
Base-Backbone interact. energy: -0.538
local terms energy: -147.989728
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -47.445
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: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -480.370292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.370292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.719431 (E_RNA)
where:
Base-Base interactions energy: -321.733
where: short stacking energy: -132.639
Base-Backbone interact. energy: -0.550
local terms energy: -158.435876
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -40.246
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -459.593179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.593179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.012484 (E_RNA)
where:
Base-Base interactions energy: -326.393
where: short stacking energy: -130.735
Base-Backbone interact. energy: 1.027
local terms energy: -139.646343
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -32.837
Dist. restrs. and SS energy: 5.419 (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: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -454.497492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.497492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.782452 (E_RNA)
where:
Base-Base interactions energy: -314.121
where: short stacking energy: -125.718
Base-Backbone interact. energy: -0.348
local terms energy: -140.313103
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -23.759
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: 164
Temperature: 1.300000
Total energy: -445.067000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.067000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.703766 (E_RNA)
where:
Base-Base interactions energy: -304.597
where: short stacking energy: -115.864
Base-Backbone interact. energy: -2.180
local terms energy: -138.926335
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -30.490
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -34.006
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: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -403.193759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.193759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.473409 (E_RNA)
where:
Base-Base interactions energy: -295.099
where: short stacking energy: -114.967
Base-Backbone interact. energy: -0.372
local terms energy: -108.002661
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -27.447
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: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -549.590066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.590066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.839364 (E_RNA)
where:
Base-Base interactions energy: -383.589
where: short stacking energy: -155.200
Base-Backbone interact. energy: -0.802
local terms energy: -165.448250
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -539.976486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.976486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.577387 (E_RNA)
where:
Base-Base interactions energy: -374.048
where: short stacking energy: -151.910
Base-Backbone interact. energy: -0.688
local terms energy: -165.841119
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -35.829
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -42.640
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: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -504.349159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.349159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.798607 (E_RNA)
where:
Base-Base interactions energy: -348.874
where: short stacking energy: -136.192
Base-Backbone interact. energy: -2.888
local terms energy: -153.037244
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -29.774
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: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -498.869869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.869869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.534018 (E_RNA)
where:
Base-Base interactions energy: -334.538
where: short stacking energy: -137.499
Base-Backbone interact. energy: -0.822
local terms energy: -164.173274
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -41.738
Dist. restrs. and SS energy: 0.664 (S_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: 165
Temperature: 1.100000
Total energy: -506.474970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.474970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.554329 (E_RNA)
where:
Base-Base interactions energy: -358.808
where: short stacking energy: -136.690
Base-Backbone interact. energy: -0.544
local terms energy: -149.202488
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -38.661
Dist. restrs. and SS energy: 2.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -500.509231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.509231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.426429 (E_RNA)
where:
Base-Base interactions energy: -345.916
where: short stacking energy: -148.465
Base-Backbone interact. energy: -0.536
local terms energy: -154.973903
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -41.861
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: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -481.239481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.239481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.507833 (E_RNA)
where:
Base-Base interactions energy: -333.224
where: short stacking energy: -137.617
Base-Backbone interact. energy: -1.059
local terms energy: -153.224173
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -43.235
Dist. restrs. and SS energy: 6.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -469.076250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.076250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.160078 (E_RNA)
where:
Base-Base interactions energy: -331.993
where: short stacking energy: -134.619
Base-Backbone interact. energy: -1.024
local terms energy: -136.143622
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -36.247
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -445.810838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.810838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.007059 (E_RNA)
where:
Base-Base interactions energy: -313.814
where: short stacking energy: -127.617
Base-Backbone interact. energy: -0.910
local terms energy: -131.283001
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -33.478
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: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -416.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.084389 (E_RNA)
where:
Base-Base interactions energy: -293.277
where: short stacking energy: -108.725
Base-Backbone interact. energy: -0.822
local terms energy: -122.985032
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -31.238
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: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -550.014772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.014772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.499172 (E_RNA)
where:
Base-Base interactions energy: -387.357
where: short stacking energy: -149.867
Base-Backbone interact. energy: -1.414
local terms energy: -161.728265
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -41.884
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -530.607987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.607987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.882383 (E_RNA)
where:
Base-Base interactions energy: -366.711
where: short stacking energy: -163.982
Base-Backbone interact. energy: -1.806
local terms energy: -162.365632
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -43.832
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: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -520.270331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.270331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.694377 (E_RNA)
where:
Base-Base interactions energy: -363.564
where: short stacking energy: -140.134
Base-Backbone interact. energy: -0.844
local terms energy: -156.286005
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -508.206383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.206383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.439311 (E_RNA)
where:
Base-Base interactions energy: -360.143
where: short stacking energy: -159.077
Base-Backbone interact. energy: -0.569
local terms energy: -147.728104
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -41.680
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -500.978780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.978780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.861943 (E_RNA)
where:
Base-Base interactions energy: -346.901
where: short stacking energy: -139.501
Base-Backbone interact. energy: -1.288
local terms energy: -153.672617
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -37.876
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -45.532
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -479.883102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.883102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.776864 (E_RNA)
where:
Base-Base interactions energy: -312.411
where: short stacking energy: -126.083
Base-Backbone interact. energy: -0.779
local terms energy: -168.586548
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -39.527
Dist. restrs. and SS energy: 1.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -469.950805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.950805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.416771 (E_RNA)
where:
Base-Base interactions energy: -342.870
where: short stacking energy: -130.338
Base-Backbone interact. energy: 0.883
local terms energy: -133.429857
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -34.211
Dist. restrs. and SS energy: 5.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -456.011255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.011255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.317020 (E_RNA)
where:
Base-Base interactions energy: -317.686
where: short stacking energy: -123.775
Base-Backbone interact. energy: -0.914
local terms energy: -137.717107
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -39.264
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: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -451.406958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.406958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.188960 (E_RNA)
where:
Base-Base interactions energy: -320.492
where: short stacking energy: -125.640
Base-Backbone interact. energy: 1.506
local terms energy: -133.203181
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -26.174
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -409.925391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.925391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.386753 (E_RNA)
where:
Base-Base interactions energy: -293.977
where: short stacking energy: -109.076
Base-Backbone interact. energy: -0.648
local terms energy: -115.762002
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -29.454
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: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -548.645783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.645783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.733151 (E_RNA)
where:
Base-Base interactions energy: -379.990
where: short stacking energy: -156.700
Base-Backbone interact. energy: -0.943
local terms energy: -168.799749
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 1.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -553.912495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.912495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.027694 (E_RNA)
where:
Base-Base interactions energy: -383.771
where: short stacking energy: -158.954
Base-Backbone interact. energy: -1.549
local terms energy: -168.707907
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -44.239
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -507.248663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.248663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.007435 (E_RNA)
where:
Base-Base interactions energy: -344.634
where: short stacking energy: -147.589
Base-Backbone interact. energy: -1.861
local terms energy: -161.512093
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -45.072
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: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -512.063489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.063489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.726546 (E_RNA)
where:
Base-Base interactions energy: -366.022
where: short stacking energy: -146.368
Base-Backbone interact. energy: -1.369
local terms energy: -145.335148
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -44.120
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: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -506.049028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.049028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.490002 (E_RNA)
where:
Base-Base interactions energy: -353.556
where: short stacking energy: -139.796
Base-Backbone interact. energy: -1.265
local terms energy: -151.669055
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -40.206
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -486.935147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.935147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.374903 (E_RNA)
where:
Base-Base interactions energy: -338.614
where: short stacking energy: -139.370
Base-Backbone interact. energy: 1.520
local terms energy: -150.281647
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -37.561
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -472.416656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.416656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.715020 (E_RNA)
where:
Base-Base interactions energy: -332.240
where: short stacking energy: -127.307
Base-Backbone interact. energy: 2.174
local terms energy: -147.649103
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -34.732
Dist. restrs. and SS energy: 5.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -448.448950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.448950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.327532 (E_RNA)
where:
Base-Base interactions energy: -313.412
where: short stacking energy: -130.168
Base-Backbone interact. energy: -0.711
local terms energy: -135.204427
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -37.108
Dist. restrs. and SS energy: 0.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -442.515967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.515967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.000882 (E_RNA)
where:
Base-Base interactions energy: -304.151
where: short stacking energy: -121.577
Base-Backbone interact. energy: 0.322
local terms energy: -139.171694
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -34.476
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -440.999572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.999572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.891785 (E_RNA)
where:
Base-Base interactions energy: -295.924
where: short stacking energy: -123.802
Base-Backbone interact. energy: 0.575
local terms energy: -146.542777
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -38.344
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: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -550.451441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.451441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.558997 (E_RNA)
where:
Base-Base interactions energy: -370.568
where: short stacking energy: -155.820
Base-Backbone interact. energy: -0.129
local terms energy: -179.862682
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -39.320
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -42.164
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: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -545.047437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.047437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.046239 (E_RNA)
where:
Base-Base interactions energy: -382.369
where: short stacking energy: -147.322
Base-Backbone interact. energy: -0.339
local terms energy: -163.338233
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -36.499
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -42.735
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -521.022376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.022376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.417100 (E_RNA)
where:
Base-Base interactions energy: -361.610
where: short stacking energy: -149.587
Base-Backbone interact. energy: -0.708
local terms energy: -159.099123
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -43.923
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -510.859473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.859473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.827580 (E_RNA)
where:
Base-Base interactions energy: -359.664
where: short stacking energy: -142.712
Base-Backbone interact. energy: -1.163
local terms energy: -151.000199
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -40.044
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -505.581478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.581478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.135348 (E_RNA)
where:
Base-Base interactions energy: -341.563
where: short stacking energy: -142.839
Base-Backbone interact. energy: 0.023
local terms energy: -164.595808
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -26.346
tors. eta vs tors. theta energy: -38.024
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: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -495.333990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.333990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.401427 (E_RNA)
where:
Base-Base interactions energy: -350.385
where: short stacking energy: -140.739
Base-Backbone interact. energy: -0.622
local terms energy: -145.393836
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -453.555553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.555553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.857642 (E_RNA)
where:
Base-Base interactions energy: -318.638
where: short stacking energy: -116.226
Base-Backbone interact. energy: -0.993
local terms energy: -135.226666
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -35.548
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: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -436.414482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.414482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.294217 (E_RNA)
where:
Base-Base interactions energy: -314.745
where: short stacking energy: -108.749
Base-Backbone interact. energy: -1.522
local terms energy: -125.026634
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 4.880 (S_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: 168
Temperature: 1.300000
Total energy: -447.267585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.267585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.802073 (E_RNA)
where:
Base-Base interactions energy: -312.114
where: short stacking energy: -124.160
Base-Backbone interact. energy: -1.731
local terms energy: -133.957554
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -28.697
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -425.796238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.796238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.990070 (E_RNA)
where:
Base-Base interactions energy: -294.514
where: short stacking energy: -109.501
Base-Backbone interact. energy: -0.181
local terms energy: -131.295204
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -28.161
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: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -548.188241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.188241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.193355 (E_RNA)
where:
Base-Base interactions energy: -375.759
where: short stacking energy: -155.354
Base-Backbone interact. energy: -0.871
local terms energy: -171.563889
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -32.028
flat angles C4'-P-C4' energy: -40.923
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -44.824
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -533.545155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.545155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.927242 (E_RNA)
where:
Base-Base interactions energy: -364.421
where: short stacking energy: -152.215
Base-Backbone interact. energy: -0.868
local terms energy: -168.637618
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -44.559
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: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -527.034137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.034137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.685994 (E_RNA)
where:
Base-Base interactions energy: -361.992
where: short stacking energy: -146.036
Base-Backbone interact. energy: -1.026
local terms energy: -164.667667
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -34.067
flat angles C4'-P-C4' energy: -38.033
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -41.212
Dist. restrs. and SS energy: 0.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -513.762477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.762477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.872710 (E_RNA)
where:
Base-Base interactions energy: -363.430
where: short stacking energy: -145.041
Base-Backbone interact. energy: 0.900
local terms energy: -151.343071
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -42.350
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: 169
Temperature: 1.100000
Total energy: -499.176804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.176804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.732662 (E_RNA)
where:
Base-Base interactions energy: -339.154
where: short stacking energy: -135.233
Base-Backbone interact. energy: -0.359
local terms energy: -160.220254
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -43.479
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: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -473.747840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.747840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.110467 (E_RNA)
where:
Base-Base interactions energy: -322.669
where: short stacking energy: -126.684
Base-Backbone interact. energy: -2.739
local terms energy: -148.702763
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -479.500922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.500922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.611815 (E_RNA)
where:
Base-Base interactions energy: -340.351
where: short stacking energy: -138.852
Base-Backbone interact. energy: -0.603
local terms energy: -138.658426
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -40.638
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -467.961858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.961858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.108182 (E_RNA)
where:
Base-Base interactions energy: -327.500
where: short stacking energy: -129.970
Base-Backbone interact. energy: -0.071
local terms energy: -140.536955
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -36.073
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: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -429.762800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.762800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.815710 (E_RNA)
where:
Base-Base interactions energy: -305.465
where: short stacking energy: -115.248
Base-Backbone interact. energy: -1.246
local terms energy: -126.104955
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -419.375651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.375651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.959214 (E_RNA)
where:
Base-Base interactions energy: -303.559
where: short stacking energy: -118.409
Base-Backbone interact. energy: -0.793
local terms energy: -115.607858
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -27.692
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -556.138919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.138919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.262631 (E_RNA)
where:
Base-Base interactions energy: -385.580
where: short stacking energy: -155.586
Base-Backbone interact. energy: -1.452
local terms energy: -169.230780
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -45.228
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -530.780939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.780939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.115762 (E_RNA)
where:
Base-Base interactions energy: -352.780
where: short stacking energy: -143.658
Base-Backbone interact. energy: 1.006
local terms energy: -179.341164
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -44.310
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: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -533.022804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.022804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.673343 (E_RNA)
where:
Base-Base interactions energy: -386.120
where: short stacking energy: -153.730
Base-Backbone interact. energy: -0.966
local terms energy: -146.586688
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -37.732
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: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -506.312327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.312327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.375221 (E_RNA)
where:
Base-Base interactions energy: -351.794
where: short stacking energy: -137.522
Base-Backbone interact. energy: -0.546
local terms energy: -157.035732
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 3.063 (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: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -481.200841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.200841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.484899 (E_RNA)
where:
Base-Base interactions energy: -329.545
where: short stacking energy: -126.105
Base-Backbone interact. energy: -1.344
local terms energy: -150.596662
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -36.847
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: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -481.608993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.608993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.388669 (E_RNA)
where:
Base-Base interactions energy: -335.756
where: short stacking energy: -134.149
Base-Backbone interact. energy: -0.345
local terms energy: -146.287923
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -37.423
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: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -490.455519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.455519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.009265 (E_RNA)
where:
Base-Base interactions energy: -347.281
where: short stacking energy: -146.466
Base-Backbone interact. energy: -0.810
local terms energy: -142.918327
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -40.411
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: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -447.566618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.566618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.337134 (E_RNA)
where:
Base-Base interactions energy: -308.904
where: short stacking energy: -117.178
Base-Backbone interact. energy: 0.528
local terms energy: -139.961992
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -440.818970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.818970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.683593 (E_RNA)
where:
Base-Base interactions energy: -307.668
where: short stacking energy: -121.308
Base-Backbone interact. energy: -1.489
local terms energy: -132.525715
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -32.388
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: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -416.714782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.714782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.916390 (E_RNA)
where:
Base-Base interactions energy: -288.566
where: short stacking energy: -115.091
Base-Backbone interact. energy: -0.755
local terms energy: -128.596189
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 1.202 (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: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -561.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.248464 (E_RNA)
where:
Base-Base interactions energy: -383.289
where: short stacking energy: -166.338
Base-Backbone interact. energy: -0.708
local terms energy: -177.251695
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -51.299
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: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -535.435854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.435854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.686593 (E_RNA)
where:
Base-Base interactions energy: -383.130
where: short stacking energy: -156.850
Base-Backbone interact. energy: 1.407
local terms energy: -153.964003
where:
bonds (distance) C4'-P energy: -29.866
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -40.436
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: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -541.089938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.089938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.694722 (E_RNA)
where:
Base-Base interactions energy: -381.921
where: short stacking energy: -148.116
Base-Backbone interact. energy: -1.013
local terms energy: -158.761270
where:
bonds (distance) C4'-P energy: -32.087
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -39.589
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -501.628428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.628428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.942849 (E_RNA)
where:
Base-Base interactions energy: -349.256
where: short stacking energy: -144.454
Base-Backbone interact. energy: -1.631
local terms energy: -151.055827
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -40.031
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: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -487.245426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.245426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.373059 (E_RNA)
where:
Base-Base interactions energy: -339.947
where: short stacking energy: -131.161
Base-Backbone interact. energy: -1.068
local terms energy: -146.358923
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -40.107
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: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -498.662343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.662343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.906790 (E_RNA)
where:
Base-Base interactions energy: -349.333
where: short stacking energy: -147.609
Base-Backbone interact. energy: 0.869
local terms energy: -150.442740
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -40.930
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: 171
Temperature: 1.200000
Total energy: -465.764587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.764587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.481239 (E_RNA)
where:
Base-Base interactions energy: -327.442
where: short stacking energy: -128.117
Base-Backbone interact. energy: 0.980
local terms energy: -140.019477
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -445.195088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.195088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.566371 (E_RNA)
where:
Base-Base interactions energy: -311.948
where: short stacking energy: -121.871
Base-Backbone interact. energy: -0.581
local terms energy: -133.037832
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -34.393
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -449.476005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.476005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.787801 (E_RNA)
where:
Base-Base interactions energy: -305.041
where: short stacking energy: -123.407
Base-Backbone interact. energy: -0.446
local terms energy: -144.300701
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -29.326
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: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -402.712441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.712441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.860662 (E_RNA)
where:
Base-Base interactions energy: -270.598
where: short stacking energy: -106.371
Base-Backbone interact. energy: -1.128
local terms energy: -132.133880
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 1.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -549.101596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.101596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.016618 (E_RNA)
where:
Base-Base interactions energy: -371.862
where: short stacking energy: -153.060
Base-Backbone interact. energy: -0.796
local terms energy: -177.358908
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -43.713
Dist. restrs. and SS energy: 0.915 (S_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: 172
Temperature: 0.950000
Total energy: -548.657074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.657074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.962748 (E_RNA)
where:
Base-Base interactions energy: -375.765
where: short stacking energy: -157.181
Base-Backbone interact. energy: -2.808
local terms energy: -170.389577
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -47.538
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: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -533.360421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.360421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.927207 (E_RNA)
where:
Base-Base interactions energy: -379.237
where: short stacking energy: -151.861
Base-Backbone interact. energy: 0.154
local terms energy: -154.843860
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -41.100
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -496.386626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.386626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.088639 (E_RNA)
where:
Base-Base interactions energy: -333.969
where: short stacking energy: -131.542
Base-Backbone interact. energy: -2.631
local terms energy: -160.488141
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -32.482
Dist. restrs. and SS energy: 0.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -514.559610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.872796 (E_RNA)
where:
Base-Base interactions energy: -351.330
where: short stacking energy: -143.833
Base-Backbone interact. energy: -1.565
local terms energy: -161.978536
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -36.580
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -479.778771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.778771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.474488 (E_RNA)
where:
Base-Base interactions energy: -327.431
where: short stacking energy: -129.296
Base-Backbone interact. energy: -1.633
local terms energy: -151.410392
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -37.818
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: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -468.388946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.388946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.914128 (E_RNA)
where:
Base-Base interactions energy: -322.325
where: short stacking energy: -129.002
Base-Backbone interact. energy: -0.911
local terms energy: -145.677414
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -28.019
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: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -474.985887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.985887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.447810 (E_RNA)
where:
Base-Base interactions energy: -334.109
where: short stacking energy: -130.121
Base-Backbone interact. energy: -0.669
local terms energy: -140.669354
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -41.171
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: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -429.730347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.730347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.117448 (E_RNA)
where:
Base-Base interactions energy: -308.495
where: short stacking energy: -115.724
Base-Backbone interact. energy: -0.411
local terms energy: -121.211497
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -29.402
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: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -407.553278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.553278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.244680 (E_RNA)
where:
Base-Base interactions energy: -282.774
where: short stacking energy: -118.928
Base-Backbone interact. energy: -0.566
local terms energy: -124.904516
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -30.284
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -538.701163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.701163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.034374 (E_RNA)
where:
Base-Base interactions energy: -368.965
where: short stacking energy: -142.164
Base-Backbone interact. energy: 2.271
local terms energy: -172.340276
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -38.177
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -45.003
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -527.951260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.951260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.330624 (E_RNA)
where:
Base-Base interactions energy: -366.609
where: short stacking energy: -146.032
Base-Backbone interact. energy: 0.417
local terms energy: -162.138552
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -41.844
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -520.800288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.800288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.670075 (E_RNA)
where:
Base-Base interactions energy: -375.192
where: short stacking energy: -151.922
Base-Backbone interact. energy: -0.713
local terms energy: -145.764418
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -38.138
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -510.395612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.395612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.857765 (E_RNA)
where:
Base-Base interactions energy: -347.655
where: short stacking energy: -141.409
Base-Backbone interact. energy: -1.205
local terms energy: -161.997991
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -43.572
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: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -496.540030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.540030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.954980 (E_RNA)
where:
Base-Base interactions energy: -351.429
where: short stacking energy: -140.177
Base-Backbone interact. energy: -0.796
local terms energy: -145.730209
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -37.188
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -500.468873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.468873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.440710 (E_RNA)
where:
Base-Base interactions energy: -357.812
where: short stacking energy: -147.844
Base-Backbone interact. energy: -0.579
local terms energy: -143.049649
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -39.678
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -474.764234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.764234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.991716 (E_RNA)
where:
Base-Base interactions energy: -327.440
where: short stacking energy: -132.459
Base-Backbone interact. energy: -0.430
local terms energy: -147.121514
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -30.568
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: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -454.346261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.346261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.102651 (E_RNA)
where:
Base-Base interactions energy: -329.261
where: short stacking energy: -135.686
Base-Backbone interact. energy: -0.371
local terms energy: -125.470656
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -29.334
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -457.143827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.143827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.527788 (E_RNA)
where:
Base-Base interactions energy: -322.104
where: short stacking energy: -120.817
Base-Backbone interact. energy: -0.985
local terms energy: -134.438501
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -437.165895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.165895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.128594 (E_RNA)
where:
Base-Base interactions energy: -305.323
where: short stacking energy: -118.682
Base-Backbone interact. energy: -0.309
local terms energy: -132.496948
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -548.211722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.211722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.568638 (E_RNA)
where:
Base-Base interactions energy: -377.276
where: short stacking energy: -158.846
Base-Backbone interact. energy: -3.089
local terms energy: -168.203181
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -43.714
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: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -538.318010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.318010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.479168 (E_RNA)
where:
Base-Base interactions energy: -367.999
where: short stacking energy: -148.562
Base-Backbone interact. energy: -0.185
local terms energy: -170.294329
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -38.132
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -44.972
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -518.124754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.124754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.299453 (E_RNA)
where:
Base-Base interactions energy: -355.685
where: short stacking energy: -149.078
Base-Backbone interact. energy: 0.046
local terms energy: -162.660331
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -37.900
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -40.577
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: 174
Temperature: 1.050000
Total energy: -517.464057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.464057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.171119 (E_RNA)
where:
Base-Base interactions energy: -369.789
where: short stacking energy: -133.693
Base-Backbone interact. energy: 0.659
local terms energy: -149.040696
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -28.732
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: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -495.100137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.100137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.360462 (E_RNA)
where:
Base-Base interactions energy: -354.381
where: short stacking energy: -144.377
Base-Backbone interact. energy: -1.307
local terms energy: -139.673131
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -42.170
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -483.372603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.372603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.335562 (E_RNA)
where:
Base-Base interactions energy: -338.016
where: short stacking energy: -125.150
Base-Backbone interact. energy: -1.442
local terms energy: -144.877450
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -460.400802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.819646 (E_RNA)
where:
Base-Base interactions energy: -310.574
where: short stacking energy: -117.397
Base-Backbone interact. energy: -1.159
local terms energy: -149.087335
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -30.306
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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -464.769164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.769164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.144431 (E_RNA)
where:
Base-Base interactions energy: -334.973
where: short stacking energy: -121.389
Base-Backbone interact. energy: -0.453
local terms energy: -129.718151
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -34.399
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: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -458.205215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.205215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.445540 (E_RNA)
where:
Base-Base interactions energy: -319.110
where: short stacking energy: -120.442
Base-Backbone interact. energy: -0.163
local terms energy: -139.172623
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -33.359
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -438.965252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.965252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.841899 (E_RNA)
where:
Base-Base interactions energy: -299.170
where: short stacking energy: -111.093
Base-Backbone interact. energy: -0.281
local terms energy: -141.391079
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -32.173
Dist. restrs. and SS energy: 1.877 (S_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: 175
Temperature: 0.900000
Total energy: -542.501986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.501986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.739004 (E_RNA)
where:
Base-Base interactions energy: -369.277
where: short stacking energy: -151.059
Base-Backbone interact. energy: 3.715
local terms energy: -177.177500
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -42.291
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: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -526.853856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.853856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.240616 (E_RNA)
where:
Base-Base interactions energy: -368.340
where: short stacking energy: -151.092
Base-Backbone interact. energy: 1.128
local terms energy: -160.028920
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -39.609
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -42.800
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: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -527.034445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.034445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.521302 (E_RNA)
where:
Base-Base interactions energy: -366.730
where: short stacking energy: -143.104
Base-Backbone interact. energy: -0.774
local terms energy: -160.017739
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -40.463
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: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -505.849752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.849752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.527154 (E_RNA)
where:
Base-Base interactions energy: -348.410
where: short stacking energy: -136.940
Base-Backbone interact. energy: -0.211
local terms energy: -157.905606
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -40.715
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -500.156019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.268119 (E_RNA)
where:
Base-Base interactions energy: -343.258
where: short stacking energy: -127.144
Base-Backbone interact. energy: 2.462
local terms energy: -159.471957
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -498.548452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.548452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.898658 (E_RNA)
where:
Base-Base interactions energy: -343.342
where: short stacking energy: -139.672
Base-Backbone interact. energy: -2.017
local terms energy: -153.539566
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -33.500
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -38.904
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -462.027698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.027698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.560508 (E_RNA)
where:
Base-Base interactions energy: -324.589
where: short stacking energy: -131.683
Base-Backbone interact. energy: -0.421
local terms energy: -137.550733
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -448.826045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.826045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.178631 (E_RNA)
where:
Base-Base interactions energy: -327.930
where: short stacking energy: -123.565
Base-Backbone interact. energy: 1.443
local terms energy: -122.692049
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -31.098
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: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -442.352931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.352931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.003992 (E_RNA)
where:
Base-Base interactions energy: -299.731
where: short stacking energy: -111.502
Base-Backbone interact. energy: 0.423
local terms energy: -143.696103
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -31.682
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: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -452.860397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.860397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.352046 (E_RNA)
where:
Base-Base interactions energy: -317.937
where: short stacking energy: -122.880
Base-Backbone interact. energy: -1.340
local terms energy: -134.074765
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -33.158
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: 176
Temperature: 0.900000
Total energy: -542.357515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.357515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.529081 (E_RNA)
where:
Base-Base interactions energy: -381.523
where: short stacking energy: -152.336
Base-Backbone interact. energy: -0.932
local terms energy: -160.074395
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -38.941
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: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -544.787763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.787763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.156634 (E_RNA)
where:
Base-Base interactions energy: -388.200
where: short stacking energy: -157.509
Base-Backbone interact. energy: -1.144
local terms energy: -155.812806
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -45.226
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: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -519.686003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.686003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.094234 (E_RNA)
where:
Base-Base interactions energy: -363.817
where: short stacking energy: -147.697
Base-Backbone interact. energy: -0.728
local terms energy: -157.548696
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -40.194
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -538.159564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.159564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.319894 (E_RNA)
where:
Base-Base interactions energy: -379.805
where: short stacking energy: -152.771
Base-Backbone interact. energy: -0.954
local terms energy: -157.561175
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -486.396093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.396093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.773828 (E_RNA)
where:
Base-Base interactions energy: -344.307
where: short stacking energy: -130.316
Base-Backbone interact. energy: -0.613
local terms energy: -141.854115
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -35.304
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -499.888187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.888187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.247207 (E_RNA)
where:
Base-Base interactions energy: -352.609
where: short stacking energy: -150.246
Base-Backbone interact. energy: -0.673
local terms energy: -146.965421
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -35.181
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: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -481.357140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.357140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.015132 (E_RNA)
where:
Base-Base interactions energy: -341.444
where: short stacking energy: -141.453
Base-Backbone interact. energy: -0.221
local terms energy: -140.349760
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -42.176
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -465.135015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.135015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.584763 (E_RNA)
where:
Base-Base interactions energy: -329.120
where: short stacking energy: -118.540
Base-Backbone interact. energy: -0.366
local terms energy: -136.099135
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -35.406
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -467.483593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.483593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.808248 (E_RNA)
where:
Base-Base interactions energy: -330.799
where: short stacking energy: -127.900
Base-Backbone interact. energy: 0.015
local terms energy: -137.024195
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -37.481
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: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -408.795267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.795267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.870991 (E_RNA)
where:
Base-Base interactions energy: -286.455
where: short stacking energy: -109.550
Base-Backbone interact. energy: -0.755
local terms energy: -121.661612
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -27.233
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -540.955031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.955031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.166115 (E_RNA)
where:
Base-Base interactions energy: -365.220
where: short stacking energy: -153.553
Base-Backbone interact. energy: -0.834
local terms energy: -175.111800
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -43.917
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: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -543.326168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.326168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.474887 (E_RNA)
where:
Base-Base interactions energy: -378.977
where: short stacking energy: -152.275
Base-Backbone interact. energy: -2.482
local terms energy: -162.015722
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -31.988
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -39.316
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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -512.202875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.202875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.453845 (E_RNA)
where:
Base-Base interactions energy: -354.268
where: short stacking energy: -143.091
Base-Backbone interact. energy: -0.320
local terms energy: -159.866508
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -40.009
Dist. restrs. and SS energy: 2.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -522.007538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.007538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.753670 (E_RNA)
where:
Base-Base interactions energy: -366.958
where: short stacking energy: -138.274
Base-Backbone interact. energy: -0.581
local terms energy: -155.214323
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -41.611
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: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -465.195861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.195861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.385816 (E_RNA)
where:
Base-Base interactions energy: -331.649
where: short stacking energy: -136.926
Base-Backbone interact. energy: 0.262
local terms energy: -133.998435
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -487.079746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.079746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.260622 (E_RNA)
where:
Base-Base interactions energy: -347.983
where: short stacking energy: -138.767
Base-Backbone interact. energy: -0.248
local terms energy: -139.029701
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -37.904
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: 177
Temperature: 1.200000
Total energy: -488.174537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.174537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.513635 (E_RNA)
where:
Base-Base interactions energy: -343.863
where: short stacking energy: -135.707
Base-Backbone interact. energy: 1.285
local terms energy: -145.935679
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -36.075
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -468.201232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.201232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.711849 (E_RNA)
where:
Base-Base interactions energy: -331.032
where: short stacking energy: -125.452
Base-Backbone interact. energy: -0.603
local terms energy: -137.076766
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -30.171
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -451.328455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.328455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.698499 (E_RNA)
where:
Base-Base interactions energy: -306.627
where: short stacking energy: -132.028
Base-Backbone interact. energy: -0.467
local terms energy: -144.604516
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -35.365
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: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -420.194250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.194250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.114808 (E_RNA)
where:
Base-Base interactions energy: -292.294
where: short stacking energy: -113.666
Base-Backbone interact. energy: 2.027
local terms energy: -130.847936
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -546.150345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.150345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.341718 (E_RNA)
where:
Base-Base interactions energy: -377.261
where: short stacking energy: -161.631
Base-Backbone interact. energy: -1.069
local terms energy: -168.011855
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -543.306349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.306349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.284766 (E_RNA)
where:
Base-Base interactions energy: -376.502
where: short stacking energy: -149.324
Base-Backbone interact. energy: -0.841
local terms energy: -166.942098
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -45.890
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -516.295806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.295806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.456793 (E_RNA)
where:
Base-Base interactions energy: -363.747
where: short stacking energy: -150.097
Base-Backbone interact. energy: -0.632
local terms energy: -154.077166
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -36.938
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -507.668935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.668935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.563035 (E_RNA)
where:
Base-Base interactions energy: -349.611
where: short stacking energy: -140.779
Base-Backbone interact. energy: -0.854
local terms energy: -158.098157
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -40.475
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -504.677560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.677560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.347938 (E_RNA)
where:
Base-Base interactions energy: -349.548
where: short stacking energy: -148.816
Base-Backbone interact. energy: 0.036
local terms energy: -155.835251
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -41.189
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -491.848953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.848953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.235813 (E_RNA)
where:
Base-Base interactions energy: -328.712
where: short stacking energy: -118.978
Base-Backbone interact. energy: -1.013
local terms energy: -162.510527
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -37.774
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: 178
Temperature: 1.200000
Total energy: -480.381888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.381888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.486659 (E_RNA)
where:
Base-Base interactions energy: -336.703
where: short stacking energy: -129.526
Base-Backbone interact. energy: -0.460
local terms energy: -144.323318
where:
bonds (distance) C4'-P energy: -34.037
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -29.504
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -38.723
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -462.681147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.681147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.271303 (E_RNA)
where:
Base-Base interactions energy: -324.975
where: short stacking energy: -116.994
Base-Backbone interact. energy: -0.224
local terms energy: -138.072685
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -29.214
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: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -444.348860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.348860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.576395 (E_RNA)
where:
Base-Base interactions energy: -308.966
where: short stacking energy: -123.670
Base-Backbone interact. energy: -0.968
local terms energy: -135.642444
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -30.720
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -417.214793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.214793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.023682 (E_RNA)
where:
Base-Base interactions energy: -287.585
where: short stacking energy: -113.563
Base-Backbone interact. energy: -0.829
local terms energy: -129.609820
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -31.159
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -27.699
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -555.397664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.397664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.567899 (E_RNA)
where:
Base-Base interactions energy: -391.053
where: short stacking energy: -162.291
Base-Backbone interact. energy: -0.173
local terms energy: -164.341735
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -41.738
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -528.749982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.749982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.414314 (E_RNA)
where:
Base-Base interactions energy: -373.344
where: short stacking energy: -147.581
Base-Backbone interact. energy: -0.710
local terms energy: -157.360027
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -37.873
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -520.113707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.113707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.423876 (E_RNA)
where:
Base-Base interactions energy: -371.712
where: short stacking energy: -139.036
Base-Backbone interact. energy: -0.004
local terms energy: -148.707848
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -40.772
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -505.098706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.098706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.197417 (E_RNA)
where:
Base-Base interactions energy: -350.504
where: short stacking energy: -131.404
Base-Backbone interact. energy: -0.651
local terms energy: -154.042551
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -510.671206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.671206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.949700 (E_RNA)
where:
Base-Base interactions energy: -348.295
where: short stacking energy: -137.249
Base-Backbone interact. energy: 0.416
local terms energy: -163.070809
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -40.935
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: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -487.681841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.681841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.191586 (E_RNA)
where:
Base-Base interactions energy: -338.485
where: short stacking energy: -133.676
Base-Backbone interact. energy: 0.807
local terms energy: -150.513124
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -38.591
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -482.947143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.947143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.911832 (E_RNA)
where:
Base-Base interactions energy: -336.453
where: short stacking energy: -125.678
Base-Backbone interact. energy: -0.456
local terms energy: -147.002914
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -461.514667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.514667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.478132 (E_RNA)
where:
Base-Base interactions energy: -318.212
where: short stacking energy: -123.417
Base-Backbone interact. energy: 0.385
local terms energy: -144.651228
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -38.534
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -455.289833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.289833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.157765 (E_RNA)
where:
Base-Base interactions energy: -325.244
where: short stacking energy: -126.684
Base-Backbone interact. energy: -0.643
local terms energy: -130.271012
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -34.222
Dist. restrs. and SS energy: 0.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -450.331431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.331431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.981819 (E_RNA)
where:
Base-Base interactions energy: -313.438
where: short stacking energy: -110.572
Base-Backbone interact. energy: 1.395
local terms energy: -138.939058
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -27.829
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: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -550.786499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.786499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.932370 (E_RNA)
where:
Base-Base interactions energy: -375.302
where: short stacking energy: -154.555
Base-Backbone interact. energy: -0.523
local terms energy: -175.106788
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -44.555
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -526.351584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.351584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.726588 (E_RNA)
where:
Base-Base interactions energy: -364.525
where: short stacking energy: -142.222
Base-Backbone interact. energy: -0.035
local terms energy: -162.167083
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -39.067
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: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -535.262097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.262097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.625484 (E_RNA)
where:
Base-Base interactions energy: -372.077
where: short stacking energy: -147.900
Base-Backbone interact. energy: 1.662
local terms energy: -165.210604
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -27.571
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -516.858570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.858570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.983003 (E_RNA)
where:
Base-Base interactions energy: -353.850
where: short stacking energy: -142.941
Base-Backbone interact. energy: -0.451
local terms energy: -162.681722
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -37.656
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: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -527.892601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.892601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.496164 (E_RNA)
where:
Base-Base interactions energy: -358.497
where: short stacking energy: -159.385
Base-Backbone interact. energy: -0.413
local terms energy: -169.586616
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -31.915
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -478.176391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.176391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.698483 (E_RNA)
where:
Base-Base interactions energy: -327.565
where: short stacking energy: -122.590
Base-Backbone interact. energy: -0.551
local terms energy: -150.582854
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -34.796
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -488.242832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.242832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.037884 (E_RNA)
where:
Base-Base interactions energy: -337.598
where: short stacking energy: -132.984
Base-Backbone interact. energy: -0.946
local terms energy: -150.493908
where:
bonds (distance) C4'-P energy: -35.523
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -32.893
Dist. restrs. and SS energy: 0.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -476.348558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.348558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.231084 (E_RNA)
where:
Base-Base interactions energy: -338.941
where: short stacking energy: -126.208
Base-Backbone interact. energy: -0.622
local terms energy: -137.667489
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -472.479871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.479871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.865456 (E_RNA)
where:
Base-Base interactions energy: -328.571
where: short stacking energy: -124.595
Base-Backbone interact. energy: -1.404
local terms energy: -142.890588
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -37.040
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: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -439.843322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.843322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.256629 (E_RNA)
where:
Base-Base interactions energy: -308.524
where: short stacking energy: -122.706
Base-Backbone interact. energy: -0.293
local terms energy: -132.439771
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -32.067
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -542.737362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.737362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.838342 (E_RNA)
where:
Base-Base interactions energy: -373.766
where: short stacking energy: -158.267
Base-Backbone interact. energy: 0.620
local terms energy: -169.692348
where:
bonds (distance) C4'-P energy: -33.999
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -41.227
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: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -541.417099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.417099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.354075 (E_RNA)
where:
Base-Base interactions energy: -383.758
where: short stacking energy: -150.944
Base-Backbone interact. energy: 1.090
local terms energy: -159.686393
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -36.356
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: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -526.573575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.573575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.149479 (E_RNA)
where:
Base-Base interactions energy: -353.846
where: short stacking energy: -140.395
Base-Backbone interact. energy: -0.612
local terms energy: -172.691439
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -535.493262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.493262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.627662 (E_RNA)
where:
Base-Base interactions energy: -360.318
where: short stacking energy: -145.548
Base-Backbone interact. energy: -1.823
local terms energy: -174.486072
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -37.501
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -46.103
Dist. restrs. and SS energy: 1.134 (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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -499.169148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.169148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.876328 (E_RNA)
where:
Base-Base interactions energy: -333.365
where: short stacking energy: -140.636
Base-Backbone interact. energy: -0.257
local terms energy: -166.254077
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -40.117
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: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -474.786106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.786106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.276887 (E_RNA)
where:
Base-Base interactions energy: -330.899
where: short stacking energy: -131.384
Base-Backbone interact. energy: -0.891
local terms energy: -143.487687
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -34.770
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: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -458.062193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.062193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.454404 (E_RNA)
where:
Base-Base interactions energy: -317.457
where: short stacking energy: -123.805
Base-Backbone interact. energy: 0.825
local terms energy: -141.822182
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -27.628
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -473.147339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.147339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.326144 (E_RNA)
where:
Base-Base interactions energy: -331.535
where: short stacking energy: -127.689
Base-Backbone interact. energy: 0.536
local terms energy: -142.326912
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -467.835293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.835293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.048999 (E_RNA)
where:
Base-Base interactions energy: -327.217
where: short stacking energy: -132.228
Base-Backbone interact. energy: -0.468
local terms energy: -143.364243
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -40.411
Dist. restrs. and SS energy: 3.214 (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: 181
Temperature: 1.350000
Total energy: -444.040480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.040480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.302153 (E_RNA)
where:
Base-Base interactions energy: -302.470
where: short stacking energy: -110.557
Base-Backbone interact. energy: -1.539
local terms energy: -145.293052
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -32.272
Dist. restrs. and SS energy: 5.262 (S_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: 182
Temperature: 0.900000
Total energy: -566.692655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.692655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.787717 (E_RNA)
where:
Base-Base interactions energy: -399.933
where: short stacking energy: -163.339
Base-Backbone interact. energy: -0.859
local terms energy: -165.995640
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -43.891
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: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -531.153536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.153536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.691846 (E_RNA)
where:
Base-Base interactions energy: -366.676
where: short stacking energy: -141.330
Base-Backbone interact. energy: -1.391
local terms energy: -163.625047
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -37.557
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: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -537.373247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.373247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.036005 (E_RNA)
where:
Base-Base interactions energy: -381.035
where: short stacking energy: -154.474
Base-Backbone interact. energy: -0.739
local terms energy: -156.261596
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -44.515
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: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -509.219451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.219451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.270604 (E_RNA)
where:
Base-Base interactions energy: -342.944
where: short stacking energy: -140.551
Base-Backbone interact. energy: -0.983
local terms energy: -166.343218
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -26.905
tors. eta vs tors. theta energy: -41.119
Dist. restrs. and SS energy: 1.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -495.023377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.023377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.263707 (E_RNA)
where:
Base-Base interactions energy: -353.213
where: short stacking energy: -144.358
Base-Backbone interact. energy: -1.625
local terms energy: -140.426076
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -39.367
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: 182
Temperature: 1.150000
Total energy: -470.671117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.671117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.555871 (E_RNA)
where:
Base-Base interactions energy: -325.893
where: short stacking energy: -130.759
Base-Backbone interact. energy: -0.704
local terms energy: -144.958453
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -34.763
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -480.736489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.736489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.973756 (E_RNA)
where:
Base-Base interactions energy: -331.809
where: short stacking energy: -132.895
Base-Backbone interact. energy: -0.887
local terms energy: -148.277243
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -35.196
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -462.571354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.571354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.658713 (E_RNA)
where:
Base-Base interactions energy: -327.388
where: short stacking energy: -130.973
Base-Backbone interact. energy: 1.317
local terms energy: -137.587478
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -34.627
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -30.365
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: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -459.266424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.266424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.583697 (E_RNA)
where:
Base-Base interactions energy: -314.725
where: short stacking energy: -128.894
Base-Backbone interact. energy: 2.488
local terms energy: -147.347340
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -34.599
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: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -456.043603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.043603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.827682 (E_RNA)
where:
Base-Base interactions energy: -321.224
where: short stacking energy: -131.539
Base-Backbone interact. energy: -0.405
local terms energy: -135.199001
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -36.643
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -547.012501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.012501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.064170 (E_RNA)
where:
Base-Base interactions energy: -386.398
where: short stacking energy: -155.755
Base-Backbone interact. energy: -1.098
local terms energy: -159.567720
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -44.306
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -547.951121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.951121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.621892 (E_RNA)
where:
Base-Base interactions energy: -373.662
where: short stacking energy: -156.305
Base-Backbone interact. energy: -0.862
local terms energy: -174.097459
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -45.983
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -526.672152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.672152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.329449 (E_RNA)
where:
Base-Base interactions energy: -354.489
where: short stacking energy: -151.960
Base-Backbone interact. energy: -0.221
local terms energy: -172.619462
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -46.457
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: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -506.322885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.322885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.454957 (E_RNA)
where:
Base-Base interactions energy: -349.036
where: short stacking energy: -136.918
Base-Backbone interact. energy: -1.424
local terms energy: -155.995068
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -34.843
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: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -512.401294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.401294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.263621 (E_RNA)
where:
Base-Base interactions energy: -364.197
where: short stacking energy: -144.380
Base-Backbone interact. energy: 0.417
local terms energy: -149.483928
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -34.001
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -36.390
Dist. restrs. and SS energy: 0.862 (S_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: 183
Temperature: 1.150000
Total energy: -479.348883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.348883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.264893 (E_RNA)
where:
Base-Base interactions energy: -332.188
where: short stacking energy: -130.277
Base-Backbone interact. energy: -0.505
local terms energy: -147.571671
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -35.472
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: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -453.072997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.072997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.415545 (E_RNA)
where:
Base-Base interactions energy: -315.983
where: short stacking energy: -123.056
Base-Backbone interact. energy: -0.872
local terms energy: -136.560831
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -25.962
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: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -455.320188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.320188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.626849 (E_RNA)
where:
Base-Base interactions energy: -344.286
where: short stacking energy: -130.422
Base-Backbone interact. energy: 0.110
local terms energy: -111.450557
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -27.696
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: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -455.080041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.080041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.364991 (E_RNA)
where:
Base-Base interactions energy: -333.117
where: short stacking energy: -129.138
Base-Backbone interact. energy: 8.094
local terms energy: -130.342139
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -33.325
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: 183
Temperature: 1.350000
Total energy: -454.006041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.006041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.235815 (E_RNA)
where:
Base-Base interactions energy: -307.068
where: short stacking energy: -120.568
Base-Backbone interact. energy: -0.487
local terms energy: -146.681199
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -39.520
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: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -558.056304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.056304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.435069 (E_RNA)
where:
Base-Base interactions energy: -383.629
where: short stacking energy: -156.425
Base-Backbone interact. energy: -2.199
local terms energy: -172.607321
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -45.762
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: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -540.697164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.697164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.958402 (E_RNA)
where:
Base-Base interactions energy: -376.948
where: short stacking energy: -153.028
Base-Backbone interact. energy: -2.102
local terms energy: -161.909253
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -38.402
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -39.057
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -531.137200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.137200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.705843 (E_RNA)
where:
Base-Base interactions energy: -371.577
where: short stacking energy: -146.344
Base-Backbone interact. energy: 0.141
local terms energy: -160.270204
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -39.832
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: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -498.190685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.300541 (E_RNA)
where:
Base-Base interactions energy: -352.839
where: short stacking energy: -138.447
Base-Backbone interact. energy: 0.462
local terms energy: -145.923582
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -31.530
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: 184
Temperature: 1.100000
Total energy: -519.635656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.635656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.738986 (E_RNA)
where:
Base-Base interactions energy: -373.190
where: short stacking energy: -138.192
Base-Backbone interact. energy: 0.110
local terms energy: -146.658701
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -39.281
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: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -475.327674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.327674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.622392 (E_RNA)
where:
Base-Base interactions energy: -336.526
where: short stacking energy: -126.809
Base-Backbone interact. energy: -0.538
local terms energy: -138.558039
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -30.902
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: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -450.325837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.325837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.168115 (E_RNA)
where:
Base-Base interactions energy: -301.968
where: short stacking energy: -111.199
Base-Backbone interact. energy: -0.486
local terms energy: -148.714235
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -33.872
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: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -465.496007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.496007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.154584 (E_RNA)
where:
Base-Base interactions energy: -327.172
where: short stacking energy: -132.782
Base-Backbone interact. energy: -0.307
local terms energy: -138.675412
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -36.113
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: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -470.044420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.044420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.729269 (E_RNA)
where:
Base-Base interactions energy: -340.163
where: short stacking energy: -139.352
Base-Backbone interact. energy: -1.779
local terms energy: -128.786547
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -36.352
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -450.710542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.710542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.740525 (E_RNA)
where:
Base-Base interactions energy: -319.101
where: short stacking energy: -118.805
Base-Backbone interact. energy: -0.208
local terms energy: -132.431833
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -549.143927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.143927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.961859 (E_RNA)
where:
Base-Base interactions energy: -371.752
where: short stacking energy: -157.783
Base-Backbone interact. energy: -1.163
local terms energy: -177.046540
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -39.622
flat angles C4'-P-C4' energy: -40.639
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -43.169
Dist. restrs. and SS energy: 0.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -534.141743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.141743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.202588 (E_RNA)
where:
Base-Base interactions energy: -361.717
where: short stacking energy: -147.538
Base-Backbone interact. energy: -1.392
local terms energy: -171.092824
where:
bonds (distance) C4'-P energy: -39.236
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -40.319
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: 185
Temperature: 1.000000
Total energy: -528.429826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.429826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.471339 (E_RNA)
where:
Base-Base interactions energy: -368.638
where: short stacking energy: -152.883
Base-Backbone interact. energy: 0.855
local terms energy: -161.687358
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -36.371
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -41.981
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -510.328791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.328791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.522632 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -130.833
Base-Backbone interact. energy: -0.845
local terms energy: -154.293691
where:
bonds (distance) C4'-P energy: -30.415
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -35.727
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: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -482.271890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.271890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.480579 (E_RNA)
where:
Base-Base interactions energy: -338.268
where: short stacking energy: -128.068
Base-Backbone interact. energy: -0.718
local terms energy: -143.494166
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -28.137
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -483.234536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.234536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.648966 (E_RNA)
where:
Base-Base interactions energy: -330.798
where: short stacking energy: -122.928
Base-Backbone interact. energy: -2.549
local terms energy: -150.301888
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -35.873
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: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -450.472602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.472602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.884952 (E_RNA)
where:
Base-Base interactions energy: -300.475
where: short stacking energy: -111.534
Base-Backbone interact. energy: -0.756
local terms energy: -149.653361
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -27.985
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -462.026368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.026368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.120360 (E_RNA)
where:
Base-Base interactions energy: -329.556
where: short stacking energy: -135.020
Base-Backbone interact. energy: -0.325
local terms energy: -132.239509
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -37.301
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -457.811145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.811145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.520763 (E_RNA)
where:
Base-Base interactions energy: -318.546
where: short stacking energy: -106.630
Base-Backbone interact. energy: -0.305
local terms energy: -139.669150
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -37.508
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: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -448.995299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.995299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.200231 (E_RNA)
where:
Base-Base interactions energy: -329.771
where: short stacking energy: -134.852
Base-Backbone interact. energy: -0.610
local terms energy: -118.819189
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -33.774
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: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -548.017060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.017060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.235882 (E_RNA)
where:
Base-Base interactions energy: -375.766
where: short stacking energy: -160.709
Base-Backbone interact. energy: -1.697
local terms energy: -170.772851
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -30.465
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -44.079
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: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -519.826339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.826339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.083100 (E_RNA)
where:
Base-Base interactions energy: -356.566
where: short stacking energy: -136.926
Base-Backbone interact. energy: -0.688
local terms energy: -162.829673
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -38.360
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -535.142671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.142671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.204799 (E_RNA)
where:
Base-Base interactions energy: -376.207
where: short stacking energy: -130.853
Base-Backbone interact. energy: 0.044
local terms energy: -159.041241
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -34.400
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: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -507.028824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.028824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.264807 (E_RNA)
where:
Base-Base interactions energy: -342.338
where: short stacking energy: -136.520
Base-Backbone interact. energy: -1.267
local terms energy: -163.660060
where:
bonds (distance) C4'-P energy: -38.471
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -37.672
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -478.718063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.718063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.254125 (E_RNA)
where:
Base-Base interactions energy: -338.976
where: short stacking energy: -130.037
Base-Backbone interact. energy: -1.700
local terms energy: -138.577889
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -32.024
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: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -482.537306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.537306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.832192 (E_RNA)
where:
Base-Base interactions energy: -335.450
where: short stacking energy: -127.500
Base-Backbone interact. energy: 1.223
local terms energy: -148.605558
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -35.114
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: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -484.928983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.928983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.393533 (E_RNA)
where:
Base-Base interactions energy: -336.365
where: short stacking energy: -134.148
Base-Backbone interact. energy: -1.023
local terms energy: -148.005469
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -40.252
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -452.802007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.802007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.051711 (E_RNA)
where:
Base-Base interactions energy: -313.054
where: short stacking energy: -119.771
Base-Backbone interact. energy: -0.244
local terms energy: -139.754108
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -36.455
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -448.905627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.905627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.120008 (E_RNA)
where:
Base-Base interactions energy: -315.516
where: short stacking energy: -123.473
Base-Backbone interact. energy: 4.931
local terms energy: -138.535042
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -33.176
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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -440.203474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.203474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.994701 (E_RNA)
where:
Base-Base interactions energy: -301.153
where: short stacking energy: -114.997
Base-Backbone interact. energy: -0.524
local terms energy: -139.318023
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -545.178577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.178577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.558890 (E_RNA)
where:
Base-Base interactions energy: -383.311
where: short stacking energy: -147.603
Base-Backbone interact. energy: -1.473
local terms energy: -162.775170
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -36.283
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -44.410
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -531.844304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.844304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.173815 (E_RNA)
where:
Base-Base interactions energy: -369.315
where: short stacking energy: -157.081
Base-Backbone interact. energy: -0.429
local terms energy: -162.429338
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -44.556
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -513.709757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.709757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.396891 (E_RNA)
where:
Base-Base interactions energy: -362.008
where: short stacking energy: -144.732
Base-Backbone interact. energy: -1.191
local terms energy: -151.197947
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -39.129
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: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -494.571577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.571577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.979702 (E_RNA)
where:
Base-Base interactions energy: -342.195
where: short stacking energy: -140.481
Base-Backbone interact. energy: -1.073
local terms energy: -151.712292
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -37.632
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: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -506.987949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.987949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.355232 (E_RNA)
where:
Base-Base interactions energy: -352.953
where: short stacking energy: -138.684
Base-Backbone interact. energy: -0.558
local terms energy: -153.843880
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -35.841
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -480.677957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.677957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.124906 (E_RNA)
where:
Base-Base interactions energy: -335.961
where: short stacking energy: -133.873
Base-Backbone interact. energy: -0.414
local terms energy: -144.749497
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -36.131
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -461.755400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.755400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.545492 (E_RNA)
where:
Base-Base interactions energy: -324.575
where: short stacking energy: -130.715
Base-Backbone interact. energy: -0.702
local terms energy: -137.268594
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -459.222374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.222374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.605206 (E_RNA)
where:
Base-Base interactions energy: -320.663
where: short stacking energy: -128.174
Base-Backbone interact. energy: -0.673
local terms energy: -138.269079
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -40.413
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -423.840370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.840370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.378480 (E_RNA)
where:
Base-Base interactions energy: -298.979
where: short stacking energy: -110.879
Base-Backbone interact. energy: 0.764
local terms energy: -126.163101
where:
bonds (distance) C4'-P energy: -27.328
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -28.744
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -32.430
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -433.092875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.092875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.675015 (E_RNA)
where:
Base-Base interactions energy: -303.647
where: short stacking energy: -104.080
Base-Backbone interact. energy: 0.723
local terms energy: -130.750517
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -23.826
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -543.793945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.793945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.841832 (E_RNA)
where:
Base-Base interactions energy: -369.467
where: short stacking energy: -150.718
Base-Backbone interact. energy: -1.332
local terms energy: -175.042732
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -36.728
Dist. restrs. and SS energy: 2.048 (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: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -534.764408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.764408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.175129 (E_RNA)
where:
Base-Base interactions energy: -366.163
where: short stacking energy: -155.086
Base-Backbone interact. energy: -1.565
local terms energy: -167.446541
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -41.472
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: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -526.559087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.559087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.715497 (E_RNA)
where:
Base-Base interactions energy: -361.161
where: short stacking energy: -144.489
Base-Backbone interact. energy: 1.414
local terms energy: -166.968028
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -39.135
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -490.620448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.620448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.988498 (E_RNA)
where:
Base-Base interactions energy: -341.386
where: short stacking energy: -138.378
Base-Backbone interact. energy: 0.099
local terms energy: -149.700994
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -30.586
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: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -492.737992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.737992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.385155 (E_RNA)
where:
Base-Base interactions energy: -339.530
where: short stacking energy: -136.400
Base-Backbone interact. energy: -0.364
local terms energy: -153.491042
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -34.884
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -41.506
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: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -488.604593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.604593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.999487 (E_RNA)
where:
Base-Base interactions energy: -334.987
where: short stacking energy: -131.308
Base-Backbone interact. energy: -0.213
local terms energy: -153.799234
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -32.627
flat angles C4'-P-C4' energy: -34.452
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -38.951
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: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -490.671189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.671189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.322588 (E_RNA)
where:
Base-Base interactions energy: -337.530
where: short stacking energy: -135.927
Base-Backbone interact. energy: 0.938
local terms energy: -154.730335
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -38.999
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: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -440.858732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.858732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.230995 (E_RNA)
where:
Base-Base interactions energy: -300.943
where: short stacking energy: -110.017
Base-Backbone interact. energy: 0.817
local terms energy: -142.104348
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 1.372 (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: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -419.344132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.344132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.085316 (E_RNA)
where:
Base-Base interactions energy: -297.933
where: short stacking energy: -114.691
Base-Backbone interact. energy: 1.368
local terms energy: -123.520079
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -29.755
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -428.323855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.323855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.589252 (E_RNA)
where:
Base-Base interactions energy: -302.127
where: short stacking energy: -126.739
Base-Backbone interact. energy: -0.597
local terms energy: -127.865052
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -37.520
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -549.329721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.329721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.429297 (E_RNA)
where:
Base-Base interactions energy: -379.868
where: short stacking energy: -162.580
Base-Backbone interact. energy: -0.792
local terms energy: -168.769455
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -46.197
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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -547.806256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.806256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.958785 (E_RNA)
where:
Base-Base interactions energy: -361.039
where: short stacking energy: -149.136
Base-Backbone interact. energy: -0.971
local terms energy: -185.948853
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -46.400
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: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -527.554297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.554297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.580651 (E_RNA)
where:
Base-Base interactions energy: -359.924
where: short stacking energy: -152.370
Base-Backbone interact. energy: -1.369
local terms energy: -166.287784
where:
bonds (distance) C4'-P energy: -32.529
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -519.625977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.625977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.287659 (E_RNA)
where:
Base-Base interactions energy: -362.183
where: short stacking energy: -144.416
Base-Backbone interact. energy: -0.277
local terms energy: -157.828334
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -38.071
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -39.971
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -500.808086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.808086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.095831 (E_RNA)
where:
Base-Base interactions energy: -341.143
where: short stacking energy: -131.025
Base-Backbone interact. energy: -1.394
local terms energy: -158.558285
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -41.850
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: 189
Temperature: 1.150000
Total energy: -486.586882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.586882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.130397 (E_RNA)
where:
Base-Base interactions energy: -328.575
where: short stacking energy: -127.055
Base-Backbone interact. energy: -1.180
local terms energy: -157.375771
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -37.313
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -35.513
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: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -479.361043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.361043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.994021 (E_RNA)
where:
Base-Base interactions energy: -326.683
where: short stacking energy: -127.161
Base-Backbone interact. energy: -0.448
local terms energy: -152.863663
where:
bonds (distance) C4'-P energy: -36.740
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -39.849
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: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -453.249695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.249695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.685495 (E_RNA)
where:
Base-Base interactions energy: -303.199
where: short stacking energy: -113.966
Base-Backbone interact. energy: -0.622
local terms energy: -149.864948
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -31.999
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: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -451.511452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.193939 (E_RNA)
where:
Base-Base interactions energy: -323.713
where: short stacking energy: -128.291
Base-Backbone interact. energy: -0.656
local terms energy: -127.825083
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -31.470
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: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -426.989749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.989749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.429827 (E_RNA)
where:
Base-Base interactions energy: -298.371
where: short stacking energy: -108.189
Base-Backbone interact. energy: -0.952
local terms energy: -128.106042
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -27.594
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -543.532930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.532930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.763332 (E_RNA)
where:
Base-Base interactions energy: -386.340
where: short stacking energy: -157.256
Base-Backbone interact. energy: 5.171
local terms energy: -164.594387
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -47.820
Dist. restrs. and SS energy: 2.230 (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: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -546.009275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.009275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.226951 (E_RNA)
where:
Base-Base interactions energy: -378.525
where: short stacking energy: -156.242
Base-Backbone interact. energy: -1.285
local terms energy: -166.417197
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -49.573
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -524.366016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.366016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.184478 (E_RNA)
where:
Base-Base interactions energy: -355.244
where: short stacking energy: -146.713
Base-Backbone interact. energy: -0.511
local terms energy: -169.429993
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -40.799
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -43.812
Dist. restrs. and SS energy: 0.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -519.894938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.894938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.406849 (E_RNA)
where:
Base-Base interactions energy: -367.118
where: short stacking energy: -154.186
Base-Backbone interact. energy: 0.634
local terms energy: -153.923262
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -40.877
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -528.855799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.855799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.151318 (E_RNA)
where:
Base-Base interactions energy: -357.314
where: short stacking energy: -144.482
Base-Backbone interact. energy: -0.994
local terms energy: -170.842957
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -41.126
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: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -495.075423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.075423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.602461 (E_RNA)
where:
Base-Base interactions energy: -342.701
where: short stacking energy: -138.577
Base-Backbone interact. energy: -0.385
local terms energy: -152.515851
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -42.171
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -468.927837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.927837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.393371 (E_RNA)
where:
Base-Base interactions energy: -312.180
where: short stacking energy: -129.233
Base-Backbone interact. energy: -0.486
local terms energy: -156.727310
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -37.298
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -453.812180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.812180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.174161 (E_RNA)
where:
Base-Base interactions energy: -308.342
where: short stacking energy: -123.646
Base-Backbone interact. energy: -0.835
local terms energy: -144.997052
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -38.900
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: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -440.526002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.090171 (E_RNA)
where:
Base-Base interactions energy: -299.072
where: short stacking energy: -120.824
Base-Backbone interact. energy: 0.071
local terms energy: -142.088366
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -32.840
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: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -431.501064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.501064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.075120 (E_RNA)
where:
Base-Base interactions energy: -303.249
where: short stacking energy: -122.424
Base-Backbone interact. energy: -0.396
local terms energy: -128.430656
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -35.607
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -546.446675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.446675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.401909 (E_RNA)
where:
Base-Base interactions energy: -373.924
where: short stacking energy: -150.837
Base-Backbone interact. energy: -0.726
local terms energy: -172.752129
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -36.914
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -42.615
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -542.983433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.983433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.086107 (E_RNA)
where:
Base-Base interactions energy: -375.202
where: short stacking energy: -160.120
Base-Backbone interact. energy: -1.752
local terms energy: -166.132209
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -42.767
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: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -532.360251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.360251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.641222 (E_RNA)
where:
Base-Base interactions energy: -365.432
where: short stacking energy: -152.539
Base-Backbone interact. energy: -0.773
local terms energy: -166.436192
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -41.254
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: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -512.648181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.648181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.273558 (E_RNA)
where:
Base-Base interactions energy: -353.218
where: short stacking energy: -145.273
Base-Backbone interact. energy: -2.383
local terms energy: -157.672035
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -45.708
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: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -505.484356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.484356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.056105 (E_RNA)
where:
Base-Base interactions energy: -353.152
where: short stacking energy: -144.903
Base-Backbone interact. energy: 0.089
local terms energy: -152.992316
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -39.023
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -483.276188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.276188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.336129 (E_RNA)
where:
Base-Base interactions energy: -341.381
where: short stacking energy: -128.977
Base-Backbone interact. energy: -1.005
local terms energy: -140.950831
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -32.515
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -477.458853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.458853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.442147 (E_RNA)
where:
Base-Base interactions energy: -326.914
where: short stacking energy: -135.241
Base-Backbone interact. energy: 0.026
local terms energy: -151.554151
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -450.325432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.755939 (E_RNA)
where:
Base-Base interactions energy: -319.077
where: short stacking energy: -120.285
Base-Backbone interact. energy: -0.723
local terms energy: -130.955720
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -31.496
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: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -460.911863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.911863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.973080 (E_RNA)
where:
Base-Base interactions energy: -321.725
where: short stacking energy: -126.413
Base-Backbone interact. energy: -0.264
local terms energy: -138.985066
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -34.032
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: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -408.196726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.196726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.866706 (E_RNA)
where:
Base-Base interactions energy: -299.410
where: short stacking energy: -125.648
Base-Backbone interact. energy: 0.853
local terms energy: -110.309004
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -32.378
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: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -546.542165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.542165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.188980 (E_RNA)
where:
Base-Base interactions energy: -373.373
where: short stacking energy: -147.379
Base-Backbone interact. energy: -1.256
local terms energy: -172.559992
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -41.969
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: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -530.840445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.840445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.478099 (E_RNA)
where:
Base-Base interactions energy: -362.144
where: short stacking energy: -159.400
Base-Backbone interact. energy: -0.488
local terms energy: -168.846314
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -41.745
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -526.365817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.365817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.519134 (E_RNA)
where:
Base-Base interactions energy: -362.073
where: short stacking energy: -150.655
Base-Backbone interact. energy: -0.264
local terms energy: -164.181898
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -41.043
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: 192
Temperature: 1.050000
Total energy: -495.416921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.416921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.867381 (E_RNA)
where:
Base-Base interactions energy: -333.068
where: short stacking energy: -137.218
Base-Backbone interact. energy: -1.519
local terms energy: -161.279891
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -43.686
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: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -510.187000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.187000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.760709 (E_RNA)
where:
Base-Base interactions energy: -353.909
where: short stacking energy: -149.894
Base-Backbone interact. energy: -2.031
local terms energy: -154.820615
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -31.567
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -485.645799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.645799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.896439 (E_RNA)
where:
Base-Base interactions energy: -330.473
where: short stacking energy: -128.014
Base-Backbone interact. energy: 0.056
local terms energy: -155.479344
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -28.513
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -38.513
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -476.397645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.397645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.775323 (E_RNA)
where:
Base-Base interactions energy: -338.115
where: short stacking energy: -140.181
Base-Backbone interact. energy: 0.623
local terms energy: -139.282558
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -37.812
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -480.803310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.803310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.232933 (E_RNA)
where:
Base-Base interactions energy: -342.406
where: short stacking energy: -133.570
Base-Backbone interact. energy: -0.223
local terms energy: -138.604516
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -38.462
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: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -453.860230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.860230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.727313 (E_RNA)
where:
Base-Base interactions energy: -317.009
where: short stacking energy: -120.598
Base-Backbone interact. energy: -1.021
local terms energy: -136.697770
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -30.303
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -32.253
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -426.349539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.349539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.491547 (E_RNA)
where:
Base-Base interactions energy: -299.847
where: short stacking energy: -105.357
Base-Backbone interact. energy: 0.931
local terms energy: -127.575220
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -27.022
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -30.522
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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -554.991312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.991312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.088942 (E_RNA)
where:
Base-Base interactions energy: -377.551
where: short stacking energy: -156.668
Base-Backbone interact. energy: -1.079
local terms energy: -176.458827
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -36.234
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -48.351
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -540.977931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.977931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.530473 (E_RNA)
where:
Base-Base interactions energy: -374.591
where: short stacking energy: -162.756
Base-Backbone interact. energy: -0.478
local terms energy: -166.460950
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -44.562
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -545.987721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.987721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.392590 (E_RNA)
where:
Base-Base interactions energy: -379.419
where: short stacking energy: -145.080
Base-Backbone interact. energy: -1.102
local terms energy: -165.871226
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -41.619
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -44.608
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: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -525.321693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.321693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.841784 (E_RNA)
where:
Base-Base interactions energy: -352.092
where: short stacking energy: -150.597
Base-Backbone interact. energy: -0.542
local terms energy: -173.207340
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -45.100
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -501.292173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.292173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.519570 (E_RNA)
where:
Base-Base interactions energy: -351.575
where: short stacking energy: -137.095
Base-Backbone interact. energy: 0.455
local terms energy: -150.399263
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -40.026
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: 193
Temperature: 1.150000
Total energy: -488.088157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.088157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.312821 (E_RNA)
where:
Base-Base interactions energy: -325.364
where: short stacking energy: -126.396
Base-Backbone interact. energy: -2.227
local terms energy: -160.722161
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -36.537
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: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -465.704185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.704185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.564209 (E_RNA)
where:
Base-Base interactions energy: -329.634
where: short stacking energy: -124.692
Base-Backbone interact. energy: -0.726
local terms energy: -136.203401
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -33.081
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: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -465.447281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.447281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.940800 (E_RNA)
where:
Base-Base interactions energy: -318.119
where: short stacking energy: -122.145
Base-Backbone interact. energy: -0.940
local terms energy: -146.881624
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -40.517
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: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -462.221626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.221626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.481390 (E_RNA)
where:
Base-Base interactions energy: -324.447
where: short stacking energy: -114.808
Base-Backbone interact. energy: 1.338
local terms energy: -139.372518
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -34.836
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: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -420.625198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.625198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.860204 (E_RNA)
where:
Base-Base interactions energy: -299.754
where: short stacking energy: -106.861
Base-Backbone interact. energy: -0.330
local terms energy: -120.777086
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -23.181
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: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -563.962475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.962475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.241173 (E_RNA)
where:
Base-Base interactions energy: -395.463
where: short stacking energy: -153.485
Base-Backbone interact. energy: -1.520
local terms energy: -167.258138
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -33.631
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -40.408
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: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -534.438287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.438287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.716838 (E_RNA)
where:
Base-Base interactions energy: -356.335
where: short stacking energy: -147.334
Base-Backbone interact. energy: -0.318
local terms energy: -178.064048
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -46.291
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: 194
Temperature: 1.000000
Total energy: -531.751088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.751088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.003938 (E_RNA)
where:
Base-Base interactions energy: -364.896
where: short stacking energy: -153.158
Base-Backbone interact. energy: -0.791
local terms energy: -166.317060
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -36.791
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -41.592
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -515.310710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.310710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.919322 (E_RNA)
where:
Base-Base interactions energy: -362.366
where: short stacking energy: -147.085
Base-Backbone interact. energy: 0.721
local terms energy: -154.273690
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -38.103
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -506.935387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.935387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.322901 (E_RNA)
where:
Base-Base interactions energy: -350.956
where: short stacking energy: -142.373
Base-Backbone interact. energy: -0.616
local terms energy: -155.750328
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -43.254
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: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -491.454825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.454825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.625831 (E_RNA)
where:
Base-Base interactions energy: -343.478
where: short stacking energy: -139.462
Base-Backbone interact. energy: 1.428
local terms energy: -149.575286
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -38.298
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -482.822052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.822052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.411955 (E_RNA)
where:
Base-Base interactions energy: -335.099
where: short stacking energy: -135.009
Base-Backbone interact. energy: 0.434
local terms energy: -149.746216
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -40.191
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -465.196669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.196669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.026115 (E_RNA)
where:
Base-Base interactions energy: -327.065
where: short stacking energy: -121.980
Base-Backbone interact. energy: -0.809
local terms energy: -139.151600
where:
bonds (distance) C4'-P energy: -29.558
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -468.853945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.853945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.403161 (E_RNA)
where:
Base-Base interactions energy: -333.555
where: short stacking energy: -135.128
Base-Backbone interact. energy: -0.436
local terms energy: -135.412261
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -34.198
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: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -424.745729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.745729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.972656 (E_RNA)
where:
Base-Base interactions energy: -301.819
where: short stacking energy: -114.356
Base-Backbone interact. energy: -0.372
local terms energy: -122.781214
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -30.999
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: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -562.133429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.133429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.108278 (E_RNA)
where:
Base-Base interactions energy: -399.523
where: short stacking energy: -163.205
Base-Backbone interact. energy: -1.320
local terms energy: -162.265596
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -42.509
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: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -540.431153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.431153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.620984 (E_RNA)
where:
Base-Base interactions energy: -370.097
where: short stacking energy: -152.078
Base-Backbone interact. energy: -1.963
local terms energy: -168.560805
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -47.386
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: 195
Temperature: 1.000000
Total energy: -526.530208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.530208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.833626 (E_RNA)
where:
Base-Base interactions energy: -361.303
where: short stacking energy: -139.381
Base-Backbone interact. energy: -0.842
local terms energy: -164.687738
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -35.823
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -523.258928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.258928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.647848 (E_RNA)
where:
Base-Base interactions energy: -370.406
where: short stacking energy: -130.571
Base-Backbone interact. energy: 0.866
local terms energy: -154.108194
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -40.257
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -482.468798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.468798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.783306 (E_RNA)
where:
Base-Base interactions energy: -340.409
where: short stacking energy: -130.803
Base-Backbone interact. energy: -0.607
local terms energy: -141.768072
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -37.887
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -497.841889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.841889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.258120 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -124.433
Base-Backbone interact. energy: -1.530
local terms energy: -153.484011
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -40.070
Dist. restrs. and SS energy: 1.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -476.297896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.297896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.913579 (E_RNA)
where:
Base-Base interactions energy: -327.849
where: short stacking energy: -134.648
Base-Backbone interact. energy: -0.603
local terms energy: -148.461689
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -29.166
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: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -440.025317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.025317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.477158 (E_RNA)
where:
Base-Base interactions energy: -304.339
where: short stacking energy: -118.030
Base-Backbone interact. energy: 1.133
local terms energy: -137.271250
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -29.784
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -452.236466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.236466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.662063 (E_RNA)
where:
Base-Base interactions energy: -305.596
where: short stacking energy: -117.524
Base-Backbone interact. energy: -0.518
local terms energy: -146.547384
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -31.636
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -424.322921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.322921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.497672 (E_RNA)
where:
Base-Base interactions energy: -288.594
where: short stacking energy: -103.818
Base-Backbone interact. energy: -0.881
local terms energy: -136.022130
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 1.175 (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: 196
Temperature: 0.900000
Total energy: -547.261034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.261034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.862239 (E_RNA)
where:
Base-Base interactions energy: -375.257
where: short stacking energy: -152.979
Base-Backbone interact. energy: -0.346
local terms energy: -172.260020
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -43.529
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -553.732996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.732996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.803500 (E_RNA)
where:
Base-Base interactions energy: -383.469
where: short stacking energy: -159.355
Base-Backbone interact. energy: -0.778
local terms energy: -170.556608
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -44.534
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -524.732344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.732344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.166726 (E_RNA)
where:
Base-Base interactions energy: -367.758
where: short stacking energy: -141.131
Base-Backbone interact. energy: 0.356
local terms energy: -157.764499
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -38.187
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: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -532.673577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.673577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.827261 (E_RNA)
where:
Base-Base interactions energy: -358.664
where: short stacking energy: -144.912
Base-Backbone interact. energy: -1.111
local terms energy: -173.052724
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -40.615
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -506.089299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.089299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.538472 (E_RNA)
where:
Base-Base interactions energy: -351.594
where: short stacking energy: -147.600
Base-Backbone interact. energy: 0.166
local terms energy: -155.110588
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -43.393
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: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -501.413568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.413568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.639053 (E_RNA)
where:
Base-Base interactions energy: -347.995
where: short stacking energy: -145.047
Base-Backbone interact. energy: -0.701
local terms energy: -152.942920
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -33.831
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: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -464.331389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.331389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.887664 (E_RNA)
where:
Base-Base interactions energy: -320.065
where: short stacking energy: -133.691
Base-Backbone interact. energy: 0.892
local terms energy: -145.715124
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -30.880
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: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -432.387356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.387356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.691436 (E_RNA)
where:
Base-Base interactions energy: -309.781
where: short stacking energy: -131.604
Base-Backbone interact. energy: -0.435
local terms energy: -122.475397
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -32.170
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: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -436.214832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.214832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.707347 (E_RNA)
where:
Base-Base interactions energy: -309.573
where: short stacking energy: -115.378
Base-Backbone interact. energy: -0.407
local terms energy: -126.727698
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -25.944
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: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -430.605715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.605715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.371049 (E_RNA)
where:
Base-Base interactions energy: -289.257
where: short stacking energy: -110.682
Base-Backbone interact. energy: -0.522
local terms energy: -142.592207
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 1.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -553.778314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.778314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.234970 (E_RNA)
where:
Base-Base interactions energy: -385.707
where: short stacking energy: -164.118
Base-Backbone interact. energy: 0.349
local terms energy: -168.877066
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -45.092
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -562.915629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.915629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.787003 (E_RNA)
where:
Base-Base interactions energy: -396.744
where: short stacking energy: -141.775
Base-Backbone interact. energy: 0.143
local terms energy: -167.185974
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -40.692
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -528.082859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.082859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.622525 (E_RNA)
where:
Base-Base interactions energy: -365.763
where: short stacking energy: -145.788
Base-Backbone interact. energy: -0.834
local terms energy: -162.025414
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -34.233
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -39.036
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: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -530.963157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.963157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.478007 (E_RNA)
where:
Base-Base interactions energy: -367.444
where: short stacking energy: -155.415
Base-Backbone interact. energy: -0.690
local terms energy: -163.344204
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -47.800
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: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -510.111591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.111591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.293549 (E_RNA)
where:
Base-Base interactions energy: -354.019
where: short stacking energy: -149.439
Base-Backbone interact. energy: -1.582
local terms energy: -154.692105
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -44.311
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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -477.577351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.577351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.819240 (E_RNA)
where:
Base-Base interactions energy: -330.035
where: short stacking energy: -130.249
Base-Backbone interact. energy: -0.850
local terms energy: -146.933472
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -31.094
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -451.306359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.306359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.627436 (E_RNA)
where:
Base-Base interactions energy: -310.169
where: short stacking energy: -110.477
Base-Backbone interact. energy: -0.895
local terms energy: -140.563294
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -441.581016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.581016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.785533 (E_RNA)
where:
Base-Base interactions energy: -309.037
where: short stacking energy: -119.360
Base-Backbone interact. energy: -1.235
local terms energy: -131.512748
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -23.688
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -453.208139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.208139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.582820 (E_RNA)
where:
Base-Base interactions energy: -318.910
where: short stacking energy: -134.199
Base-Backbone interact. energy: -0.421
local terms energy: -134.252377
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -33.889
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: 197
Temperature: 1.350000
Total energy: -432.669585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.669585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.925914 (E_RNA)
where:
Base-Base interactions energy: -301.278
where: short stacking energy: -112.033
Base-Backbone interact. energy: -0.442
local terms energy: -132.205892
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -27.688
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: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -559.255961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.255961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.012121 (E_RNA)
where:
Base-Base interactions energy: -390.421
where: short stacking energy: -161.990
Base-Backbone interact. energy: -0.666
local terms energy: -168.925581
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -33.022
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -546.709810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.709810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.206807 (E_RNA)
where:
Base-Base interactions energy: -381.269
where: short stacking energy: -152.790
Base-Backbone interact. energy: -0.314
local terms energy: -165.623907
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -31.710
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -523.542735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.542735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.784072 (E_RNA)
where:
Base-Base interactions energy: -360.705
where: short stacking energy: -154.479
Base-Backbone interact. energy: -0.208
local terms energy: -162.871060
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -38.182
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -510.887004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.887004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.150128 (E_RNA)
where:
Base-Base interactions energy: -359.716
where: short stacking energy: -145.244
Base-Backbone interact. energy: 1.031
local terms energy: -152.464998
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -45.039
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: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -511.349856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.349856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.595246 (E_RNA)
where:
Base-Base interactions energy: -363.551
where: short stacking energy: -137.918
Base-Backbone interact. energy: -1.336
local terms energy: -146.708081
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -41.537
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: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -490.353395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.353395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.412446 (E_RNA)
where:
Base-Base interactions energy: -345.063
where: short stacking energy: -137.106
Base-Backbone interact. energy: -1.055
local terms energy: -144.294155
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -32.479
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -452.042944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.042944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.829050 (E_RNA)
where:
Base-Base interactions energy: -307.084
where: short stacking energy: -118.174
Base-Backbone interact. energy: -0.101
local terms energy: -148.644772
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -33.713
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -447.407562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.407562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.194290 (E_RNA)
where:
Base-Base interactions energy: -304.348
where: short stacking energy: -116.648
Base-Backbone interact. energy: 2.247
local terms energy: -148.093515
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -28.217
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -38.128
Dist. restrs. and SS energy: 2.787 (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: 198
Temperature: 1.300000
Total energy: -443.359669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.359669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.838443 (E_RNA)
where:
Base-Base interactions energy: -302.482
where: short stacking energy: -112.308
Base-Backbone interact. energy: -1.877
local terms energy: -139.479307
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -31.010
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: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -416.949314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.949314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.051056 (E_RNA)
where:
Base-Base interactions energy: -282.339
where: short stacking energy: -110.804
Base-Backbone interact. energy: -0.969
local terms energy: -133.743208
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -31.761
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: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -548.936398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.936398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.937892 (E_RNA)
where:
Base-Base interactions energy: -370.796
where: short stacking energy: -155.401
Base-Backbone interact. energy: -0.503
local terms energy: -178.638429
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -46.235
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -543.892963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.892963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.962107 (E_RNA)
where:
Base-Base interactions energy: -371.707
where: short stacking energy: -153.447
Base-Backbone interact. energy: -1.666
local terms energy: -170.589186
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -43.273
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -531.708634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.708634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.804261 (E_RNA)
where:
Base-Base interactions energy: -360.126
where: short stacking energy: -155.191
Base-Backbone interact. energy: -2.353
local terms energy: -169.325136
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -43.591
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: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -514.263587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.263587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.681840 (E_RNA)
where:
Base-Base interactions energy: -363.488
where: short stacking energy: -147.672
Base-Backbone interact. energy: 1.950
local terms energy: -153.143848
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -34.193
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -509.035023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.035023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.453693 (E_RNA)
where:
Base-Base interactions energy: -345.564
where: short stacking energy: -139.663
Base-Backbone interact. energy: -1.234
local terms energy: -162.655365
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -489.320762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.320762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.196221 (E_RNA)
where:
Base-Base interactions energy: -350.021
where: short stacking energy: -148.372
Base-Backbone interact. energy: -0.412
local terms energy: -146.763305
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -41.239
Dist. restrs. and SS energy: 7.875 (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: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -480.988227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.988227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.813861 (E_RNA)
where:
Base-Base interactions energy: -332.660
where: short stacking energy: -138.505
Base-Backbone interact. energy: -1.628
local terms energy: -147.525992
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -436.007151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.007151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.431181 (E_RNA)
where:
Base-Base interactions energy: -304.951
where: short stacking energy: -126.298
Base-Backbone interact. energy: 1.425
local terms energy: -136.905421
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 4.424 (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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -425.938633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.938633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.376466 (E_RNA)
where:
Base-Base interactions energy: -289.493
where: short stacking energy: -106.459
Base-Backbone interact. energy: -0.979
local terms energy: -136.904292
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -431.264736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.264736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.104689 (E_RNA)
where:
Base-Base interactions energy: -301.034
where: short stacking energy: -120.095
Base-Backbone interact. energy: -0.946
local terms energy: -130.124984
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -548.469913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.469913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.682046 (E_RNA)
where:
Base-Base interactions energy: -376.424
where: short stacking energy: -162.547
Base-Backbone interact. energy: -0.744
local terms energy: -171.513398
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -44.493
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -551.265449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.265449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.726030 (E_RNA)
where:
Base-Base interactions energy: -382.285
where: short stacking energy: -146.963
Base-Backbone interact. energy: 0.021
local terms energy: -169.461711
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -34.440
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -43.852
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: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -520.676792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.676792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.908587 (E_RNA)
where:
Base-Base interactions energy: -346.892
where: short stacking energy: -137.177
Base-Backbone interact. energy: -0.776
local terms energy: -173.240058
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -45.366
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -505.381353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.381353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.753527 (E_RNA)
where:
Base-Base interactions energy: -355.358
where: short stacking energy: -148.598
Base-Backbone interact. energy: -0.701
local terms energy: -149.694845
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -43.667
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: 200
Temperature: 1.100000
Total energy: -475.174995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.174995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.814438 (E_RNA)
where:
Base-Base interactions energy: -328.721
where: short stacking energy: -135.588
Base-Backbone interact. energy: -0.331
local terms energy: -151.762168
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 5.639 (S_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: 200
Temperature: 1.150000
Total energy: -492.861597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.861597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.610219 (E_RNA)
where:
Base-Base interactions energy: -347.760
where: short stacking energy: -134.947
Base-Backbone interact. energy: -1.280
local terms energy: -144.569792
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -462.209067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.209067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.474057 (E_RNA)
where:
Base-Base interactions energy: -321.478
where: short stacking energy: -133.020
Base-Backbone interact. energy: -0.419
local terms energy: -140.576986
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -33.181
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -441.201821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.201821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.589963 (E_RNA)
where:
Base-Base interactions energy: -300.453
where: short stacking energy: -126.809
Base-Backbone interact. energy: 1.022
local terms energy: -142.158047
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -32.907
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -35.259
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -433.801585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.801585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.438481 (E_RNA)
where:
Base-Base interactions energy: -306.756
where: short stacking energy: -117.169
Base-Backbone interact. energy: -0.656
local terms energy: -127.026808
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -30.405
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -430.850202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.850202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.475306 (E_RNA)
where:
Base-Base interactions energy: -292.998
where: short stacking energy: -117.034
Base-Backbone interact. energy: -1.189
local terms energy: -139.288628
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: 2.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -553.663966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.663966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.904878 (E_RNA)
where:
Base-Base interactions energy: -390.512
where: short stacking energy: -165.271
Base-Backbone interact. energy: -0.288
local terms energy: -163.105725
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -43.004
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: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -551.873422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.873422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.867714 (E_RNA)
where:
Base-Base interactions energy: -384.864
where: short stacking energy: -152.169
Base-Backbone interact. energy: -0.736
local terms energy: -167.267923
where:
bonds (distance) C4'-P energy: -34.665
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -518.260951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.260951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.472318 (E_RNA)
where:
Base-Base interactions energy: -363.556
where: short stacking energy: -150.290
Base-Backbone interact. energy: -0.712
local terms energy: -154.203859
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -41.865
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: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -507.503687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.503687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.559781 (E_RNA)
where:
Base-Base interactions energy: -352.365
where: short stacking energy: -144.227
Base-Backbone interact. energy: -3.374
local terms energy: -151.820345
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -41.302
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -500.215136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.215136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.291978 (E_RNA)
where:
Base-Base interactions energy: -350.172
where: short stacking energy: -148.179
Base-Backbone interact. energy: 0.743
local terms energy: -153.862524
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 3.077 (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: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -492.757766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.757766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.877709 (E_RNA)
where:
Base-Base interactions energy: -346.911
where: short stacking energy: -146.171
Base-Backbone interact. energy: -0.717
local terms energy: -145.249406
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -43.805
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -484.827009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.827009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.080750 (E_RNA)
where:
Base-Base interactions energy: -337.443
where: short stacking energy: -134.940
Base-Backbone interact. energy: 1.459
local terms energy: -149.096132
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -37.761
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -462.498299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.498299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.031441 (E_RNA)
where:
Base-Base interactions energy: -313.956
where: short stacking energy: -131.812
Base-Backbone interact. energy: -0.026
local terms energy: -149.049420
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -38.473
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: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -430.036003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.036003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.338085 (E_RNA)
where:
Base-Base interactions energy: -309.603
where: short stacking energy: -120.929
Base-Backbone interact. energy: -0.950
local terms energy: -119.784859
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -31.948
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: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -416.743132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.743132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.993571 (E_RNA)
where:
Base-Base interactions energy: -284.361
where: short stacking energy: -104.821
Base-Backbone interact. energy: -0.922
local terms energy: -131.711121
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -28.299
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: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -570.148394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.148394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.580325 (E_RNA)
where:
Base-Base interactions energy: -395.019
where: short stacking energy: -169.633
Base-Backbone interact. energy: -0.406
local terms energy: -175.155646
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -48.759
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -540.658349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.658349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.067504 (E_RNA)
where:
Base-Base interactions energy: -379.423
where: short stacking energy: -157.801
Base-Backbone interact. energy: 0.332
local terms energy: -161.976252
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -43.924
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -510.876670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.876670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.515763 (E_RNA)
where:
Base-Base interactions energy: -351.050
where: short stacking energy: -139.538
Base-Backbone interact. energy: -0.825
local terms energy: -159.640820
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -37.461
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -36.596
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -515.084218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.084218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.063232 (E_RNA)
where:
Base-Base interactions energy: -357.877
where: short stacking energy: -148.343
Base-Backbone interact. energy: 0.706
local terms energy: -158.891767
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -38.063
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -496.479234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.659293 (E_RNA)
where:
Base-Base interactions energy: -340.909
where: short stacking energy: -135.778
Base-Backbone interact. energy: -0.880
local terms energy: -157.869676
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 3.180 (S_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: 202
Temperature: 1.150000
Total energy: -494.094425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.094425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.674344 (E_RNA)
where:
Base-Base interactions energy: -359.847
where: short stacking energy: -147.305
Base-Backbone interact. energy: -1.348
local terms energy: -133.479050
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -43.420
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: 202
Temperature: 1.200000
Total energy: -463.088239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.088239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.634864 (E_RNA)
where:
Base-Base interactions energy: -319.345
where: short stacking energy: -135.830
Base-Backbone interact. energy: -1.012
local terms energy: -143.277730
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -38.230
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -458.283831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.283831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.944806 (E_RNA)
where:
Base-Base interactions energy: -319.473
where: short stacking energy: -127.074
Base-Backbone interact. energy: -1.234
local terms energy: -138.237638
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -28.769
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: 202
Temperature: 1.300000
Total energy: -447.962275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.962275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.189393 (E_RNA)
where:
Base-Base interactions energy: -312.727
where: short stacking energy: -118.900
Base-Backbone interact. energy: -0.528
local terms energy: -134.934139
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -25.797
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: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -434.558433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.558433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.824693 (E_RNA)
where:
Base-Base interactions energy: -291.219
where: short stacking energy: -105.603
Base-Backbone interact. energy: -0.987
local terms energy: -143.618428
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -36.729
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -31.922
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: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -560.742133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.742133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.982257 (E_RNA)
where:
Base-Base interactions energy: -381.433
where: short stacking energy: -152.198
Base-Backbone interact. energy: -0.247
local terms energy: -179.303076
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -43.736
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -539.001938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.001938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.001938 (E_RNA)
where:
Base-Base interactions energy: -377.644
where: short stacking energy: -156.612
Base-Backbone interact. energy: 1.520
local terms energy: -162.877858
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -35.071
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -43.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -521.065917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.065917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.475543 (E_RNA)
where:
Base-Base interactions energy: -373.895
where: short stacking energy: -147.467
Base-Backbone interact. energy: -0.594
local terms energy: -146.986394
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -36.939
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -503.217211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.217211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.968083 (E_RNA)
where:
Base-Base interactions energy: -349.940
where: short stacking energy: -130.830
Base-Backbone interact. energy: -0.281
local terms energy: -153.747263
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -34.764
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: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -505.288297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.288297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.011433 (E_RNA)
where:
Base-Base interactions energy: -350.142
where: short stacking energy: -137.732
Base-Backbone interact. energy: 0.115
local terms energy: -158.984418
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -37.457
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -37.786
Dist. restrs. and SS energy: 3.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -492.064112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.064112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.216323 (E_RNA)
where:
Base-Base interactions energy: -348.155
where: short stacking energy: -143.728
Base-Backbone interact. energy: 0.091
local terms energy: -144.152843
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -43.394
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -477.761706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.761706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.146284 (E_RNA)
where:
Base-Base interactions energy: -321.040
where: short stacking energy: -128.243
Base-Backbone interact. energy: 1.342
local terms energy: -158.447687
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -37.061
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -38.664
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: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -447.855148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.855148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.916305 (E_RNA)
where:
Base-Base interactions energy: -309.597
where: short stacking energy: -110.232
Base-Backbone interact. energy: -0.396
local terms energy: -137.923569
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -28.972
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -428.544821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.544821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.710275 (E_RNA)
where:
Base-Base interactions energy: -285.100
where: short stacking energy: -112.692
Base-Backbone interact. energy: -0.245
local terms energy: -143.365788
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -34.157
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -442.743720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.743720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.503786 (E_RNA)
where:
Base-Base interactions energy: -316.244
where: short stacking energy: -103.147
Base-Backbone interact. energy: 1.072
local terms energy: -128.332121
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -27.717
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -26.360
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: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -556.753014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.753014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.124395 (E_RNA)
where:
Base-Base interactions energy: -386.054
where: short stacking energy: -160.310
Base-Backbone interact. energy: 0.598
local terms energy: -171.668765
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -41.880
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: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -546.592428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.592428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.661264 (E_RNA)
where:
Base-Base interactions energy: -380.335
where: short stacking energy: -150.579
Base-Backbone interact. energy: 1.873
local terms energy: -168.198711
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -40.834
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -535.962334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.962334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.511707 (E_RNA)
where:
Base-Base interactions energy: -362.816
where: short stacking energy: -151.888
Base-Backbone interact. energy: -0.480
local terms energy: -173.215542
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -39.644
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -51.855
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: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -504.969601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.969601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.284086 (E_RNA)
where:
Base-Base interactions energy: -338.322
where: short stacking energy: -132.058
Base-Backbone interact. energy: -0.402
local terms energy: -166.560233
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -37.825
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: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -491.273875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.273875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.790306 (E_RNA)
where:
Base-Base interactions energy: -339.146
where: short stacking energy: -131.972
Base-Backbone interact. energy: -0.660
local terms energy: -154.984087
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -36.085
Dist. restrs. and SS energy: 3.516 (S_DIST_RNA)
chem. 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: -496.301737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.301737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.623527 (E_RNA)
where:
Base-Base interactions energy: -342.269
where: short stacking energy: -131.152
Base-Backbone interact. energy: 1.322
local terms energy: -155.676766
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -34.888
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: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -484.376440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.376440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.942053 (E_RNA)
where:
Base-Base interactions energy: -332.766
where: short stacking energy: -138.384
Base-Backbone interact. energy: -0.706
local terms energy: -151.470058
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -40.754
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -446.737996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.737996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.051362 (E_RNA)
where:
Base-Base interactions energy: -308.514
where: short stacking energy: -123.024
Base-Backbone interact. energy: -0.951
local terms energy: -137.585873
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -29.602
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: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -441.673065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.673065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.781674 (E_RNA)
where:
Base-Base interactions energy: -299.560
where: short stacking energy: -105.592
Base-Backbone interact. energy: 0.163
local terms energy: -143.385348
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -35.002
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 1.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -411.409280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.409280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.827888 (E_RNA)
where:
Base-Base interactions energy: -282.324
where: short stacking energy: -109.961
Base-Backbone interact. energy: -0.410
local terms energy: -129.094218
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -29.382
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -549.711431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.711431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.844154 (E_RNA)
where:
Base-Base interactions energy: -386.705
where: short stacking energy: -151.904
Base-Backbone interact. energy: -0.757
local terms energy: -162.381708
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -42.204
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: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -529.999125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.999125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.180512 (E_RNA)
where:
Base-Base interactions energy: -353.553
where: short stacking energy: -144.658
Base-Backbone interact. energy: -0.605
local terms energy: -176.022321
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -42.150
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: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -525.571197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.571197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.134710 (E_RNA)
where:
Base-Base interactions energy: -358.979
where: short stacking energy: -142.967
Base-Backbone interact. energy: -0.109
local terms energy: -167.046606
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -44.461
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -519.732883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.046046 (E_RNA)
where:
Base-Base interactions energy: -359.616
where: short stacking energy: -141.641
Base-Backbone interact. energy: -0.200
local terms energy: -160.229702
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -39.761
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: 205
Temperature: 1.100000
Total energy: -499.503811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.503811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.225779 (E_RNA)
where:
Base-Base interactions energy: -344.395
where: short stacking energy: -131.456
Base-Backbone interact. energy: -0.971
local terms energy: -157.860116
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -35.690
Dist. restrs. and SS energy: 3.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -468.518995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.518995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.788153 (E_RNA)
where:
Base-Base interactions energy: -334.342
where: short stacking energy: -124.984
Base-Backbone interact. energy: -0.740
local terms energy: -133.706604
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -29.905
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: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -487.610843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.610843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.019215 (E_RNA)
where:
Base-Base interactions energy: -325.660
where: short stacking energy: -124.401
Base-Backbone interact. energy: -0.227
local terms energy: -162.132851
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -35.110
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -35.510
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: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -463.082933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.082933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.906129 (E_RNA)
where:
Base-Base interactions energy: -331.202
where: short stacking energy: -120.814
Base-Backbone interact. energy: -0.471
local terms energy: -132.233046
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -431.255467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.255467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.350779 (E_RNA)
where:
Base-Base interactions energy: -307.599
where: short stacking energy: -117.052
Base-Backbone interact. energy: 0.915
local terms energy: -125.666648
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -426.404863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.404863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.534298 (E_RNA)
where:
Base-Base interactions energy: -291.987
where: short stacking energy: -114.783
Base-Backbone interact. energy: -0.167
local terms energy: -134.380110
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -31.433
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: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -550.484105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.484105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.133540 (E_RNA)
where:
Base-Base interactions energy: -392.559
where: short stacking energy: -154.553
Base-Backbone interact. energy: -0.993
local terms energy: -157.581350
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -37.230
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: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -539.564559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.564559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.786151 (E_RNA)
where:
Base-Base interactions energy: -368.052
where: short stacking energy: -150.744
Base-Backbone interact. energy: -0.600
local terms energy: -171.134431
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -33.376
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -42.170
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -532.359222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.359222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.920023 (E_RNA)
where:
Base-Base interactions energy: -371.458
where: short stacking energy: -138.957
Base-Backbone interact. energy: -0.950
local terms energy: -160.511603
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -43.912
Dist. restrs. and SS energy: 0.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -515.329624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.329624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.814664 (E_RNA)
where:
Base-Base interactions energy: -369.645
where: short stacking energy: -155.159
Base-Backbone interact. energy: 0.480
local terms energy: -146.649012
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -31.555
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -39.581
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: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -475.095708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.095708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.656009 (E_RNA)
where:
Base-Base interactions energy: -338.233
where: short stacking energy: -132.306
Base-Backbone interact. energy: -0.790
local terms energy: -136.632663
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -32.445
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: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -468.911507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.911507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.526793 (E_RNA)
where:
Base-Base interactions energy: -331.063
where: short stacking energy: -125.350
Base-Backbone interact. energy: 1.164
local terms energy: -142.627883
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 3.615 (S_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: 206
Temperature: 1.200000
Total energy: -484.718146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.718146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.985656 (E_RNA)
where:
Base-Base interactions energy: -340.576
where: short stacking energy: -137.502
Base-Backbone interact. energy: -0.893
local terms energy: -143.517066
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -36.900
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: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -451.714114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.714114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.232412 (E_RNA)
where:
Base-Base interactions energy: -320.233
where: short stacking energy: -114.409
Base-Backbone interact. energy: -1.383
local terms energy: -130.615915
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -28.669
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: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -440.269892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.269892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.007901 (E_RNA)
where:
Base-Base interactions energy: -310.081
where: short stacking energy: -115.249
Base-Backbone interact. energy: -0.661
local terms energy: -130.266500
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -27.776
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -403.922674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.922674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.196084 (E_RNA)
where:
Base-Base interactions energy: -292.843
where: short stacking energy: -102.297
Base-Backbone interact. energy: -0.394
local terms energy: -110.959695
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -25.471
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: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -554.622406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.622406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.191363 (E_RNA)
where:
Base-Base interactions energy: -395.695
where: short stacking energy: -155.308
Base-Backbone interact. energy: -0.422
local terms energy: -159.075104
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -41.192
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -522.443069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.443069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.543195 (E_RNA)
where:
Base-Base interactions energy: -357.957
where: short stacking energy: -142.982
Base-Backbone interact. energy: -0.502
local terms energy: -164.083979
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -523.437200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.437200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.680662 (E_RNA)
where:
Base-Base interactions energy: -367.054
where: short stacking energy: -151.127
Base-Backbone interact. energy: -0.831
local terms energy: -155.795607
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -44.402
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -516.068706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.068706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.377225 (E_RNA)
where:
Base-Base interactions energy: -351.021
where: short stacking energy: -142.549
Base-Backbone interact. energy: 0.173
local terms energy: -165.529950
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -45.581
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: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -496.196816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.196816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.320124 (E_RNA)
where:
Base-Base interactions energy: -335.716
where: short stacking energy: -132.374
Base-Backbone interact. energy: -1.824
local terms energy: -158.779985
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -37.576
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: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -490.554880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.554880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.903511 (E_RNA)
where:
Base-Base interactions energy: -344.943
where: short stacking energy: -128.616
Base-Backbone interact. energy: -0.594
local terms energy: -145.366355
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -38.986
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: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -472.204956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.204956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.949128 (E_RNA)
where:
Base-Base interactions energy: -329.329
where: short stacking energy: -130.031
Base-Backbone interact. energy: -1.305
local terms energy: -143.314541
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -475.678332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.678332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.779581 (E_RNA)
where:
Base-Base interactions energy: -327.712
where: short stacking energy: -111.454
Base-Backbone interact. energy: -0.554
local terms energy: -148.513262
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 1.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -431.567333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.567333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.175778 (E_RNA)
where:
Base-Base interactions energy: -306.173
where: short stacking energy: -113.878
Base-Backbone interact. energy: -0.958
local terms energy: -125.044453
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -22.027
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: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -396.430075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.430075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.976593 (E_RNA)
where:
Base-Base interactions energy: -269.332
where: short stacking energy: -97.177
Base-Backbone interact. energy: 0.240
local terms energy: -127.884201
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -24.373
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -28.026
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: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -557.716092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.716092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.906513 (E_RNA)
where:
Base-Base interactions energy: -387.666
where: short stacking energy: -157.682
Base-Backbone interact. energy: -0.629
local terms energy: -169.611108
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -47.317
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: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -527.591624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.591624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.807129 (E_RNA)
where:
Base-Base interactions energy: -368.407
where: short stacking energy: -142.017
Base-Backbone interact. energy: 0.260
local terms energy: -159.660359
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -36.681
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -524.301118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.301118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.503399 (E_RNA)
where:
Base-Base interactions energy: -359.303
where: short stacking energy: -144.272
Base-Backbone interact. energy: 0.548
local terms energy: -165.749082
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -36.204
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: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -512.828036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.828036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.117288 (E_RNA)
where:
Base-Base interactions energy: -358.834
where: short stacking energy: -148.216
Base-Backbone interact. energy: -0.297
local terms energy: -153.986382
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -45.009
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -515.996247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.996247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.157957 (E_RNA)
where:
Base-Base interactions energy: -363.008
where: short stacking energy: -152.053
Base-Backbone interact. energy: -0.448
local terms energy: -152.701447
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -43.541
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: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -475.531542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.531542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.144332 (E_RNA)
where:
Base-Base interactions energy: -337.049
where: short stacking energy: -130.866
Base-Backbone interact. energy: -2.284
local terms energy: -136.811337
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -34.889
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: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -482.005656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.005656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.262946 (E_RNA)
where:
Base-Base interactions energy: -330.110
where: short stacking energy: -123.961
Base-Backbone interact. energy: -0.827
local terms energy: -151.325886
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -441.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.624848 (E_RNA)
where:
Base-Base interactions energy: -307.318
where: short stacking energy: -131.269
Base-Backbone interact. energy: 0.021
local terms energy: -137.328118
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -422.729090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.729090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.430602 (E_RNA)
where:
Base-Base interactions energy: -292.752
where: short stacking energy: -115.252
Base-Backbone interact. energy: -0.292
local terms energy: -130.386948
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -32.151
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: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -422.002980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.002980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.510779 (E_RNA)
where:
Base-Base interactions energy: -280.470
where: short stacking energy: -104.134
Base-Backbone interact. energy: 0.531
local terms energy: -142.571886
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -25.123
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -566.411325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.411325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.908262 (E_RNA)
where:
Base-Base interactions energy: -393.139
where: short stacking energy: -156.850
Base-Backbone interact. energy: -1.003
local terms energy: -172.766191
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -47.264
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: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -532.430361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.430361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.576615 (E_RNA)
where:
Base-Base interactions energy: -361.587
where: short stacking energy: -153.448
Base-Backbone interact. energy: -0.442
local terms energy: -170.547490
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -45.082
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: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -528.371996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.371996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.556398 (E_RNA)
where:
Base-Base interactions energy: -366.491
where: short stacking energy: -151.606
Base-Backbone interact. energy: -0.789
local terms energy: -161.276308
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -35.153
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -521.442239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.442239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.816046 (E_RNA)
where:
Base-Base interactions energy: -362.369
where: short stacking energy: -145.537
Base-Backbone interact. energy: -0.659
local terms energy: -158.788370
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -40.343
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: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -513.132744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.132744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.460594 (E_RNA)
where:
Base-Base interactions energy: -345.152
where: short stacking energy: -137.808
Base-Backbone interact. energy: -0.251
local terms energy: -168.057794
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -43.278
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: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -488.977793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.977793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.324467 (E_RNA)
where:
Base-Base interactions energy: -353.697
where: short stacking energy: -139.558
Base-Backbone interact. energy: 0.283
local terms energy: -135.910197
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -33.587
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -470.289420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.289420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.507716 (E_RNA)
where:
Base-Base interactions energy: -321.632
where: short stacking energy: -128.284
Base-Backbone interact. energy: -1.419
local terms energy: -147.456967
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -28.452
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -431.854402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.854402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.088570 (E_RNA)
where:
Base-Base interactions energy: -294.142
where: short stacking energy: -108.058
Base-Backbone interact. energy: -0.764
local terms energy: -137.182292
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -34.594
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -441.005782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.005782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.368229 (E_RNA)
where:
Base-Base interactions energy: -309.173
where: short stacking energy: -120.542
Base-Backbone interact. energy: -0.792
local terms energy: -134.403242
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -418.942653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.942653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.322186 (E_RNA)
where:
Base-Base interactions energy: -298.705
where: short stacking energy: -105.971
Base-Backbone interact. energy: 2.001
local terms energy: -122.618494
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -25.970
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: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -563.159260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.159260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.562155 (E_RNA)
where:
Base-Base interactions energy: -397.480
where: short stacking energy: -163.893
Base-Backbone interact. energy: -0.653
local terms energy: -165.428824
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -45.248
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: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -546.016342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.016342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.573570 (E_RNA)
where:
Base-Base interactions energy: -382.513
where: short stacking energy: -160.524
Base-Backbone interact. energy: 0.237
local terms energy: -164.296896
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -43.388
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: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -544.613805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.613805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.663393 (E_RNA)
where:
Base-Base interactions energy: -380.559
where: short stacking energy: -156.270
Base-Backbone interact. energy: -1.037
local terms energy: -163.066812
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -46.461
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -489.209900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.209900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.431167 (E_RNA)
where:
Base-Base interactions energy: -342.904
where: short stacking energy: -124.893
Base-Backbone interact. energy: -0.507
local terms energy: -146.020084
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -34.400
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: 210
Temperature: 1.100000
Total energy: -504.232588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.232588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.465136 (E_RNA)
where:
Base-Base interactions energy: -358.062
where: short stacking energy: -128.061
Base-Backbone interact. energy: 0.180
local terms energy: -146.582689
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -31.725
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: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -490.585981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.585981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.901625 (E_RNA)
where:
Base-Base interactions energy: -340.449
where: short stacking energy: -137.729
Base-Backbone interact. energy: -0.810
local terms energy: -149.641855
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -38.212
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -481.626103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.626103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.132447 (E_RNA)
where:
Base-Base interactions energy: -341.038
where: short stacking energy: -131.844
Base-Backbone interact. energy: -1.903
local terms energy: -139.191593
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -30.171
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -431.199128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.199128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.750229 (E_RNA)
where:
Base-Base interactions energy: -306.021
where: short stacking energy: -124.120
Base-Backbone interact. energy: -0.592
local terms energy: -125.137434
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -28.948
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: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -447.946742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.946742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.291198 (E_RNA)
where:
Base-Base interactions energy: -310.606
where: short stacking energy: -115.352
Base-Backbone interact. energy: -0.832
local terms energy: -136.853677
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -36.103
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -23.078
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: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -395.086431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.086431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.077291 (E_RNA)
where:
Base-Base interactions energy: -272.954
where: short stacking energy: -102.717
Base-Backbone interact. energy: 3.184
local terms energy: -126.306940
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -20.623
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: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -566.169571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.169571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.071305 (E_RNA)
where:
Base-Base interactions energy: -398.091
where: short stacking energy: -159.696
Base-Backbone interact. energy: -1.209
local terms energy: -167.771074
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -535.148291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.148291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.582634 (E_RNA)
where:
Base-Base interactions energy: -364.813
where: short stacking energy: -138.089
Base-Backbone interact. energy: 0.132
local terms energy: -170.901749
where:
bonds (distance) C4'-P energy: -37.004
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -46.735
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -536.269450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.269450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.997278 (E_RNA)
where:
Base-Base interactions energy: -376.729
where: short stacking energy: -159.954
Base-Backbone interact. energy: -0.927
local terms energy: -159.341596
where:
bonds (distance) C4'-P energy: -34.794
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -38.708
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -44.704
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -501.399952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.399952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.486535 (E_RNA)
where:
Base-Base interactions energy: -341.957
where: short stacking energy: -138.557
Base-Backbone interact. energy: 0.124
local terms energy: -159.654103
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -497.268981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.268981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.780903 (E_RNA)
where:
Base-Base interactions energy: -348.339
where: short stacking energy: -137.272
Base-Backbone interact. energy: 2.734
local terms energy: -152.175291
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -37.075
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: 211
Temperature: 1.150000
Total energy: -497.393258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.393258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.624808 (E_RNA)
where:
Base-Base interactions energy: -344.148
where: short stacking energy: -140.976
Base-Backbone interact. energy: 1.487
local terms energy: -155.963604
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -42.783
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -479.211807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.211807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.628758 (E_RNA)
where:
Base-Base interactions energy: -324.452
where: short stacking energy: -125.558
Base-Backbone interact. energy: -1.433
local terms energy: -153.743485
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -38.848
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: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -423.317241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.317241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.120440 (E_RNA)
where:
Base-Base interactions energy: -287.499
where: short stacking energy: -110.617
Base-Backbone interact. energy: -1.332
local terms energy: -135.289557
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -28.309
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -440.715755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.715755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.738730 (E_RNA)
where:
Base-Base interactions energy: -300.571
where: short stacking energy: -126.843
Base-Backbone interact. energy: -3.551
local terms energy: -137.616765
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -42.143
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: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -419.739814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.739814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.693556 (E_RNA)
where:
Base-Base interactions energy: -300.670
where: short stacking energy: -115.470
Base-Backbone interact. energy: -0.234
local terms energy: -119.789803
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -555.146717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.146717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.458297 (E_RNA)
where:
Base-Base interactions energy: -376.303
where: short stacking energy: -154.624
Base-Backbone interact. energy: -1.497
local terms energy: -177.658859
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -43.252
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: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -535.775945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.775945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.647016 (E_RNA)
where:
Base-Base interactions energy: -364.842
where: short stacking energy: -137.563
Base-Backbone interact. energy: -0.615
local terms energy: -171.190385
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -25.149
tors. eta vs tors. theta energy: -43.345
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -520.471401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.471401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.915505 (E_RNA)
where:
Base-Base interactions energy: -356.599
where: short stacking energy: -138.177
Base-Backbone interact. energy: 2.610
local terms energy: -166.926397
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -38.156
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -42.894
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: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -493.315567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.315567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.941491 (E_RNA)
where:
Base-Base interactions energy: -345.948
where: short stacking energy: -143.944
Base-Backbone interact. energy: -1.068
local terms energy: -146.925032
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -34.743
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: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -508.717489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.300703 (E_RNA)
where:
Base-Base interactions energy: -340.817
where: short stacking energy: -138.870
Base-Backbone interact. energy: -0.304
local terms energy: -168.180062
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -477.376772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.376772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.149735 (E_RNA)
where:
Base-Base interactions energy: -335.951
where: short stacking energy: -122.034
Base-Backbone interact. energy: 2.634
local terms energy: -144.832716
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -30.692
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: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -441.119297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.119297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.632035 (E_RNA)
where:
Base-Base interactions energy: -305.789
where: short stacking energy: -122.959
Base-Backbone interact. energy: -0.040
local terms energy: -135.803531
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -33.477
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -453.126035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.126035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.884441 (E_RNA)
where:
Base-Base interactions energy: -309.750
where: short stacking energy: -129.168
Base-Backbone interact. energy: 1.620
local terms energy: -145.754443
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -37.029
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: 212
Temperature: 1.300000
Total energy: -437.221869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.221869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.488722 (E_RNA)
where:
Base-Base interactions energy: -292.975
where: short stacking energy: -105.543
Base-Backbone interact. energy: -0.895
local terms energy: -143.617874
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -19.480
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: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -434.220441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.220441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.887503 (E_RNA)
where:
Base-Base interactions energy: -297.408
where: short stacking energy: -115.495
Base-Backbone interact. energy: -0.028
local terms energy: -137.451774
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -34.695
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: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -558.333749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.333749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.163440 (E_RNA)
where:
Base-Base interactions energy: -386.087
where: short stacking energy: -153.124
Base-Backbone interact. energy: -1.316
local terms energy: -171.761132
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -42.187
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -40.747
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -549.695375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.695375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.955284 (E_RNA)
where:
Base-Base interactions energy: -389.930
where: short stacking energy: -149.129
Base-Backbone interact. energy: -1.905
local terms energy: -158.120901
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -44.755
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: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -527.511843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.511843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.940118 (E_RNA)
where:
Base-Base interactions energy: -352.538
where: short stacking energy: -145.021
Base-Backbone interact. energy: -0.022
local terms energy: -175.380402
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -48.937
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -513.064857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.064857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.538482 (E_RNA)
where:
Base-Base interactions energy: -353.587
where: short stacking energy: -137.382
Base-Backbone interact. energy: -1.103
local terms energy: -158.848778
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -44.601
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: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -505.037039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.037039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.392029 (E_RNA)
where:
Base-Base interactions energy: -342.697
where: short stacking energy: -134.515
Base-Backbone interact. energy: -0.540
local terms energy: -162.155160
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -40.051
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -476.663155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.663155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.251824 (E_RNA)
where:
Base-Base interactions energy: -336.129
where: short stacking energy: -140.148
Base-Backbone interact. energy: -0.961
local terms energy: -140.162081
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -35.212
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: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -428.085004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.085004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.349047 (E_RNA)
where:
Base-Base interactions energy: -306.686
where: short stacking energy: -110.468
Base-Backbone interact. energy: -1.020
local terms energy: -120.642413
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -24.835
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: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -451.104658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.104658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.225921 (E_RNA)
where:
Base-Base interactions energy: -313.568
where: short stacking energy: -112.740
Base-Backbone interact. energy: -0.123
local terms energy: -137.534827
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -33.904
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: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -443.734432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.734432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.500693 (E_RNA)
where:
Base-Base interactions energy: -304.536
where: short stacking energy: -132.899
Base-Backbone interact. energy: 0.168
local terms energy: -140.133533
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -32.140
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: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -428.022754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.022754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.428466 (E_RNA)
where:
Base-Base interactions energy: -297.087
where: short stacking energy: -111.117
Base-Backbone interact. energy: -0.858
local terms energy: -131.482831
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -33.684
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -557.717076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.717076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.292897 (E_RNA)
where:
Base-Base interactions energy: -376.224
where: short stacking energy: -152.145
Base-Backbone interact. energy: -2.780
local terms energy: -179.288902
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -45.375
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: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -543.457738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.457738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.314270 (E_RNA)
where:
Base-Base interactions energy: -376.183
where: short stacking energy: -158.210
Base-Backbone interact. energy: 3.525
local terms energy: -171.655836
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -529.113144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.113144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.611705 (E_RNA)
where:
Base-Base interactions energy: -363.211
where: short stacking energy: -142.218
Base-Backbone interact. energy: 0.978
local terms energy: -167.378486
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -44.248
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: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -509.969891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.969891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.614857 (E_RNA)
where:
Base-Base interactions energy: -347.983
where: short stacking energy: -144.550
Base-Backbone interact. energy: -0.597
local terms energy: -162.035487
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -43.115
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -503.953874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.953874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.145313 (E_RNA)
where:
Base-Base interactions energy: -345.130
where: short stacking energy: -146.686
Base-Backbone interact. energy: -1.196
local terms energy: -157.818797
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -35.948
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -43.111
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: 214
Temperature: 1.150000
Total energy: -486.899712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.899712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.407285 (E_RNA)
where:
Base-Base interactions energy: -344.441
where: short stacking energy: -133.699
Base-Backbone interact. energy: -0.084
local terms energy: -142.881824
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -40.212
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: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -481.588744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.588744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.997934 (E_RNA)
where:
Base-Base interactions energy: -325.208
where: short stacking energy: -127.404
Base-Backbone interact. energy: -0.917
local terms energy: -155.873201
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -37.923
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -432.007847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.007847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.389921 (E_RNA)
where:
Base-Base interactions energy: -296.471
where: short stacking energy: -111.286
Base-Backbone interact. energy: 0.193
local terms energy: -136.112539
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -26.958
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: 214
Temperature: 1.300000
Total energy: -435.447939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.447939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.664993 (E_RNA)
where:
Base-Base interactions energy: -295.519
where: short stacking energy: -105.543
Base-Backbone interact. energy: -0.912
local terms energy: -139.233654
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -27.663
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: 214
Temperature: 1.350000
Total energy: -422.369486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.369486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.302417 (E_RNA)
where:
Base-Base interactions energy: -306.088
where: short stacking energy: -117.484
Base-Backbone interact. energy: -0.423
local terms energy: -116.790522
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -27.627
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: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -555.340250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.340250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.372169 (E_RNA)
where:
Base-Base interactions energy: -384.987
where: short stacking energy: -161.725
Base-Backbone interact. energy: -0.374
local terms energy: -170.011251
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -48.517
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -550.235242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.235242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.257653 (E_RNA)
where:
Base-Base interactions energy: -370.861
where: short stacking energy: -161.435
Base-Backbone interact. energy: -0.363
local terms energy: -179.033723
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -514.730601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.730601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.010998 (E_RNA)
where:
Base-Base interactions energy: -349.117
where: short stacking energy: -142.944
Base-Backbone interact. energy: -0.644
local terms energy: -165.249930
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -36.358
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: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -521.656271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.656271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.010778 (E_RNA)
where:
Base-Base interactions energy: -356.212
where: short stacking energy: -143.570
Base-Backbone interact. energy: -1.374
local terms energy: -164.423935
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -43.303
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -497.722154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.722154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.106892 (E_RNA)
where:
Base-Base interactions energy: -340.721
where: short stacking energy: -128.616
Base-Backbone interact. energy: 1.500
local terms energy: -158.885555
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -36.607
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -38.001
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -469.424551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.424551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.750335 (E_RNA)
where:
Base-Base interactions energy: -334.044
where: short stacking energy: -135.264
Base-Backbone interact. energy: 0.539
local terms energy: -136.245213
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -34.962
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: 215
Temperature: 1.200000
Total energy: -490.301419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.301419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.152941 (E_RNA)
where:
Base-Base interactions energy: -334.794
where: short stacking energy: -133.653
Base-Backbone interact. energy: -1.408
local terms energy: -154.950737
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -37.958
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: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -433.746804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.746804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.217944 (E_RNA)
where:
Base-Base interactions energy: -287.366
where: short stacking energy: -115.114
Base-Backbone interact. energy: -2.808
local terms energy: -144.044193
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -30.008
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -426.493545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.493545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.841317 (E_RNA)
where:
Base-Base interactions energy: -304.274
where: short stacking energy: -113.042
Base-Backbone interact. energy: -1.390
local terms energy: -121.176825
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -26.891
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: 215
Temperature: 1.350000
Total energy: -427.080539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.080539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.203034 (E_RNA)
where:
Base-Base interactions energy: -309.549
where: short stacking energy: -124.078
Base-Backbone interact. energy: 0.206
local terms energy: -118.859802
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -32.791
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -555.723110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.723110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.088553 (E_RNA)
where:
Base-Base interactions energy: -379.903
where: short stacking energy: -164.555
Base-Backbone interact. energy: -1.069
local terms energy: -175.116871
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -40.159
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -49.931
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: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -542.539070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.539070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.216198 (E_RNA)
where:
Base-Base interactions energy: -377.060
where: short stacking energy: -147.147
Base-Backbone interact. energy: -0.370
local terms energy: -165.786597
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -42.697
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: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -537.508798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.508798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.352960 (E_RNA)
where:
Base-Base interactions energy: -360.928
where: short stacking energy: -148.297
Base-Backbone interact. energy: -1.349
local terms energy: -176.075407
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -40.640
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -43.742
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: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -517.853232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.853232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.379882 (E_RNA)
where:
Base-Base interactions energy: -357.097
where: short stacking energy: -151.408
Base-Backbone interact. energy: 0.074
local terms energy: -161.356978
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -40.107
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: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -514.517041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.517041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.765072 (E_RNA)
where:
Base-Base interactions energy: -353.698
where: short stacking energy: -150.621
Base-Backbone interact. energy: 0.538
local terms energy: -161.605252
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -43.529
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: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -489.841517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.841517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.492251 (E_RNA)
where:
Base-Base interactions energy: -337.240
where: short stacking energy: -145.985
Base-Backbone interact. energy: -1.615
local terms energy: -151.637874
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -41.418
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: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -459.693990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.693990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.229118 (E_RNA)
where:
Base-Base interactions energy: -331.483
where: short stacking energy: -138.678
Base-Backbone interact. energy: -0.791
local terms energy: -132.954360
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 5.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -444.563719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.563719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.006029 (E_RNA)
where:
Base-Base interactions energy: -307.232
where: short stacking energy: -119.740
Base-Backbone interact. energy: -0.564
local terms energy: -137.209591
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -30.241
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: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -440.487959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.487959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.258281 (E_RNA)
where:
Base-Base interactions energy: -315.040
where: short stacking energy: -115.309
Base-Backbone interact. energy: -0.959
local terms energy: -125.259051
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -33.190
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -436.417548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.417548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.706754 (E_RNA)
where:
Base-Base interactions energy: -302.898
where: short stacking energy: -119.362
Base-Backbone interact. energy: -0.973
local terms energy: -132.835059
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -555.539616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.539616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.828394 (E_RNA)
where:
Base-Base interactions energy: -379.523
where: short stacking energy: -158.542
Base-Backbone interact. energy: -0.635
local terms energy: -175.670527
where:
bonds (distance) C4'-P energy: -39.304
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -46.097
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -555.953294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.953294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.149849 (E_RNA)
where:
Base-Base interactions energy: -384.928
where: short stacking energy: -159.607
Base-Backbone interact. energy: -0.221
local terms energy: -171.000979
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -43.415
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -514.539468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.539468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.055137 (E_RNA)
where:
Base-Base interactions energy: -353.837
where: short stacking energy: -136.708
Base-Backbone interact. energy: 0.495
local terms energy: -161.712946
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -34.751
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -521.470067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.470067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.122843 (E_RNA)
where:
Base-Base interactions energy: -356.326
where: short stacking energy: -143.996
Base-Backbone interact. energy: -1.257
local terms energy: -164.539846
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -43.525
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -498.713445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.713445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.080600 (E_RNA)
where:
Base-Base interactions energy: -347.852
where: short stacking energy: -137.661
Base-Backbone interact. energy: -0.407
local terms energy: -150.822258
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -41.442
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -486.644930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.644930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.970904 (E_RNA)
where:
Base-Base interactions energy: -337.163
where: short stacking energy: -124.679
Base-Backbone interact. energy: -0.529
local terms energy: -149.278951
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -37.909
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: 217
Temperature: 1.200000
Total energy: -469.674635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.674635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.917411 (E_RNA)
where:
Base-Base interactions energy: -315.534
where: short stacking energy: -123.089
Base-Backbone interact. energy: -2.582
local terms energy: -153.801328
where:
bonds (distance) C4'-P energy: -33.290
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 2.243 (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: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -418.134360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.134360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.354270 (E_RNA)
where:
Base-Base interactions energy: -301.526
where: short stacking energy: -120.921
Base-Backbone interact. energy: 1.520
local terms energy: -118.348028
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -27.432
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: 217
Temperature: 1.300000
Total energy: -442.640947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.640947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.601827 (E_RNA)
where:
Base-Base interactions energy: -309.482
where: short stacking energy: -134.126
Base-Backbone interact. energy: -1.208
local terms energy: -132.911909
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -430.543561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.543561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.029225 (E_RNA)
where:
Base-Base interactions energy: -290.710
where: short stacking energy: -123.350
Base-Backbone interact. energy: -0.550
local terms energy: -139.769548
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -35.078
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -564.001935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.001935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.273451 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -162.393
Base-Backbone interact. energy: -0.041
local terms energy: -174.655745
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -40.804
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: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -551.122691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.122691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.642312 (E_RNA)
where:
Base-Base interactions energy: -372.456
where: short stacking energy: -147.272
Base-Backbone interact. energy: -1.874
local terms energy: -177.312297
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -46.326
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -548.291398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.291398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.570975 (E_RNA)
where:
Base-Base interactions energy: -379.179
where: short stacking energy: -152.102
Base-Backbone interact. energy: 1.154
local terms energy: -170.546353
where:
bonds (distance) C4'-P energy: -29.937
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -48.457
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: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -517.809558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.809558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.126868 (E_RNA)
where:
Base-Base interactions energy: -362.484
where: short stacking energy: -144.612
Base-Backbone interact. energy: -0.433
local terms energy: -155.210528
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -41.839
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: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -512.390278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.390278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.353420 (E_RNA)
where:
Base-Base interactions energy: -351.524
where: short stacking energy: -147.143
Base-Backbone interact. energy: -0.363
local terms energy: -161.466071
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -39.549
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -40.610
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -476.332371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.332371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.491033 (E_RNA)
where:
Base-Base interactions energy: -336.682
where: short stacking energy: -128.588
Base-Backbone interact. energy: 2.413
local terms energy: -142.221953
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -39.349
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: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -451.121609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.121609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.525706 (E_RNA)
where:
Base-Base interactions energy: -313.436
where: short stacking energy: -115.768
Base-Backbone interact. energy: 0.744
local terms energy: -138.833945
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -29.511
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: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -460.007113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.007113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.848698 (E_RNA)
where:
Base-Base interactions energy: -321.344
where: short stacking energy: -130.392
Base-Backbone interact. energy: -0.832
local terms energy: -138.672891
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -35.920
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: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -457.042189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.042189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.585364 (E_RNA)
where:
Base-Base interactions energy: -320.728
where: short stacking energy: -123.543
Base-Backbone interact. energy: -0.452
local terms energy: -136.405753
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -34.473
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -366.703553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.703553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.201821 (E_RNA)
where:
Base-Base interactions energy: -262.508
where: short stacking energy: -102.633
Base-Backbone interact. energy: -0.560
local terms energy: -110.134600
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 6.498 (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: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -562.084910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.084910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.193817 (E_RNA)
where:
Base-Base interactions energy: -386.865
where: short stacking energy: -151.822
Base-Backbone interact. energy: 0.775
local terms energy: -177.103556
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -37.990
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 1.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -531.631720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.631720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.242692 (E_RNA)
where:
Base-Base interactions energy: -364.158
where: short stacking energy: -152.869
Base-Backbone interact. energy: 0.032
local terms energy: -168.116662
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -43.023
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: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -534.387225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.387225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.741513 (E_RNA)
where:
Base-Base interactions energy: -371.492
where: short stacking energy: -139.074
Base-Backbone interact. energy: 0.097
local terms energy: -163.346179
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -44.791
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: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -509.545541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.545541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.021658 (E_RNA)
where:
Base-Base interactions energy: -350.888
where: short stacking energy: -143.630
Base-Backbone interact. energy: -1.126
local terms energy: -158.007530
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -34.694
flat angles C4'-P-C4' energy: -39.485
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -39.251
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -507.698108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.698108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.851955 (E_RNA)
where:
Base-Base interactions energy: -349.632
where: short stacking energy: -147.043
Base-Backbone interact. energy: 0.142
local terms energy: -158.361843
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -43.884
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: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -484.620397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.620397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.689614 (E_RNA)
where:
Base-Base interactions energy: -341.994
where: short stacking energy: -143.540
Base-Backbone interact. energy: -1.642
local terms energy: -141.053182
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -34.418
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -430.086865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.086865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.932921 (E_RNA)
where:
Base-Base interactions energy: -292.965
where: short stacking energy: -119.438
Base-Backbone interact. energy: 0.539
local terms energy: -138.506462
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -30.668
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: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -483.998028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.998028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.519815 (E_RNA)
where:
Base-Base interactions energy: -333.135
where: short stacking energy: -130.892
Base-Backbone interact. energy: 1.443
local terms energy: -152.827576
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -39.252
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: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -443.936560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.936560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.919730 (E_RNA)
where:
Base-Base interactions energy: -315.898
where: short stacking energy: -118.279
Base-Backbone interact. energy: -0.619
local terms energy: -128.402669
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -399.354886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.354886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.689399 (E_RNA)
where:
Base-Base interactions energy: -281.472
where: short stacking energy: -106.809
Base-Backbone interact. energy: -0.081
local terms energy: -128.136458
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 10.335 (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: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -557.467716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.467716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.981460 (E_RNA)
where:
Base-Base interactions energy: -390.819
where: short stacking energy: -155.101
Base-Backbone interact. energy: -0.057
local terms energy: -167.105257
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -44.112
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: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -531.590759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.590759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.885853 (E_RNA)
where:
Base-Base interactions energy: -363.664
where: short stacking energy: -149.836
Base-Backbone interact. energy: -0.512
local terms energy: -167.709885
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -38.708
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: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -528.728454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.728454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.982811 (E_RNA)
where:
Base-Base interactions energy: -374.165
where: short stacking energy: -145.044
Base-Backbone interact. energy: -0.753
local terms energy: -154.065241
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -33.484
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -44.488
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -536.426684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.426684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.874858 (E_RNA)
where:
Base-Base interactions energy: -368.398
where: short stacking energy: -149.343
Base-Backbone interact. energy: -0.574
local terms energy: -167.902595
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -47.545
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -507.831544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.831544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.609800 (E_RNA)
where:
Base-Base interactions energy: -338.990
where: short stacking energy: -146.928
Base-Backbone interact. energy: 0.485
local terms energy: -170.105290
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -35.320
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -44.160
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -484.730183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.730183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.267957 (E_RNA)
where:
Base-Base interactions energy: -334.627
where: short stacking energy: -135.147
Base-Backbone interact. energy: -2.508
local terms energy: -148.132991
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -36.373
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: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -485.362190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.362190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.967335 (E_RNA)
where:
Base-Base interactions energy: -340.580
where: short stacking energy: -131.513
Base-Backbone interact. energy: 0.437
local terms energy: -145.824302
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -41.045
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: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -449.633830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.633830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.626163 (E_RNA)
where:
Base-Base interactions energy: -308.611
where: short stacking energy: -131.523
Base-Backbone interact. energy: -0.742
local terms energy: -141.272633
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -30.990
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -428.365630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.365630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.677349 (E_RNA)
where:
Base-Base interactions energy: -304.196
where: short stacking energy: -121.268
Base-Backbone interact. energy: 0.781
local terms energy: -131.262850
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 6.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -420.356713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.356713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.008365 (E_RNA)
where:
Base-Base interactions energy: -294.239
where: short stacking energy: -109.298
Base-Backbone interact. energy: 2.537
local terms energy: -130.305834
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -561.428156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.428156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.013690 (E_RNA)
where:
Base-Base interactions energy: -386.578
where: short stacking energy: -160.694
Base-Backbone interact. energy: -0.383
local terms energy: -175.052854
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -36.690
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -45.202
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -540.054748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.054748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.472963 (E_RNA)
where:
Base-Base interactions energy: -371.436
where: short stacking energy: -157.921
Base-Backbone interact. energy: -2.187
local terms energy: -166.849572
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -33.646
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -41.942
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: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -533.388483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.388483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.771804 (E_RNA)
where:
Base-Base interactions energy: -365.851
where: short stacking energy: -144.854
Base-Backbone interact. energy: -0.834
local terms energy: -167.087338
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -40.918
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -513.248684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.248684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.600159 (E_RNA)
where:
Base-Base interactions energy: -355.929
where: short stacking energy: -146.918
Base-Backbone interact. energy: -0.466
local terms energy: -157.205173
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -43.112
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -539.056316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.056316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.187688 (E_RNA)
where:
Base-Base interactions energy: -369.715
where: short stacking energy: -146.619
Base-Backbone interact. energy: -2.273
local terms energy: -167.199762
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -40.099
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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -483.628541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.628541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.254534 (E_RNA)
where:
Base-Base interactions energy: -338.747
where: short stacking energy: -131.904
Base-Backbone interact. energy: -1.157
local terms energy: -144.350521
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -33.091
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -36.693
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: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -473.460975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.460975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.185628 (E_RNA)
where:
Base-Base interactions energy: -328.421
where: short stacking energy: -129.261
Base-Backbone interact. energy: -0.509
local terms energy: -146.255705
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -36.673
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -439.412956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.412956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.880249 (E_RNA)
where:
Base-Base interactions energy: -314.105
where: short stacking energy: -130.413
Base-Backbone interact. energy: -0.222
local terms energy: -125.553013
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -34.459
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -427.219994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.219994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.525322 (E_RNA)
where:
Base-Base interactions energy: -291.419
where: short stacking energy: -113.276
Base-Backbone interact. energy: -0.277
local terms energy: -135.829618
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -31.115
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -415.653982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.653982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.799314 (E_RNA)
where:
Base-Base interactions energy: -286.104
where: short stacking energy: -114.311
Base-Backbone interact. energy: -0.753
local terms energy: -129.942845
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -570.689117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.689117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.736392 (E_RNA)
where:
Base-Base interactions energy: -397.543
where: short stacking energy: -150.430
Base-Backbone interact. energy: -1.353
local terms energy: -171.840208
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -40.000
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -45.547
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -544.591061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.591061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.425194 (E_RNA)
where:
Base-Base interactions energy: -372.377
where: short stacking energy: -147.064
Base-Backbone interact. energy: -0.439
local terms energy: -172.609262
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -533.285412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.285412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.008561 (E_RNA)
where:
Base-Base interactions energy: -369.846
where: short stacking energy: -153.183
Base-Backbone interact. energy: -0.719
local terms energy: -163.443484
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -518.376549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.376549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.594000 (E_RNA)
where:
Base-Base interactions energy: -362.427
where: short stacking energy: -140.417
Base-Backbone interact. energy: -1.454
local terms energy: -154.713333
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -29.960
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -40.317
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -530.748135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.748135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.910552 (E_RNA)
where:
Base-Base interactions energy: -361.316
where: short stacking energy: -135.147
Base-Backbone interact. energy: -0.689
local terms energy: -168.905284
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -41.215
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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -481.303100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.303100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.157333 (E_RNA)
where:
Base-Base interactions energy: -337.884
where: short stacking energy: -135.509
Base-Backbone interact. energy: 0.467
local terms energy: -144.740909
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -39.026
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: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -430.474325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.474325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.822848 (E_RNA)
where:
Base-Base interactions energy: -312.684
where: short stacking energy: -120.120
Base-Backbone interact. energy: -0.742
local terms energy: -117.397073
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -31.051
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: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -469.576594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.576594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.318691 (E_RNA)
where:
Base-Base interactions energy: -325.498
where: short stacking energy: -130.387
Base-Backbone interact. energy: -0.509
local terms energy: -144.311210
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -30.511
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: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -436.591119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.591119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.363408 (E_RNA)
where:
Base-Base interactions energy: -313.789
where: short stacking energy: -119.662
Base-Backbone interact. energy: -1.400
local terms energy: -123.174989
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -26.690
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -393.082399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.082399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.474037 (E_RNA)
where:
Base-Base interactions energy: -256.119
where: short stacking energy: -91.395
Base-Backbone interact. energy: -0.174
local terms energy: -137.181489
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -20.911
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: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -549.701430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.701430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.110474 (E_RNA)
where:
Base-Base interactions energy: -375.178
where: short stacking energy: -152.174
Base-Backbone interact. energy: -1.382
local terms energy: -173.550515
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -45.038
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: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -551.359362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.359362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.479237 (E_RNA)
where:
Base-Base interactions energy: -375.877
where: short stacking energy: -158.195
Base-Backbone interact. energy: -0.490
local terms energy: -176.112474
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -39.367
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -41.118
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: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -528.323232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.323232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.007161 (E_RNA)
where:
Base-Base interactions energy: -358.365
where: short stacking energy: -147.891
Base-Backbone interact. energy: -0.167
local terms energy: -170.474652
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -36.242
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -44.819
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -535.620243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.620243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.219820 (E_RNA)
where:
Base-Base interactions energy: -374.983
where: short stacking energy: -157.133
Base-Backbone interact. energy: -0.409
local terms energy: -160.827748
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -36.394
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -37.243
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: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -513.128095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.128095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.170420 (E_RNA)
where:
Base-Base interactions energy: -342.754
where: short stacking energy: -142.708
Base-Backbone interact. energy: -0.758
local terms energy: -169.658900
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -43.860
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -459.826989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.826989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.564929 (E_RNA)
where:
Base-Base interactions energy: -320.520
where: short stacking energy: -126.710
Base-Backbone interact. energy: -0.402
local terms energy: -139.642773
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -472.685053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.685053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.350473 (E_RNA)
where:
Base-Base interactions energy: -324.589
where: short stacking energy: -130.004
Base-Backbone interact. energy: -0.616
local terms energy: -148.146122
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -38.146
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -484.425274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.425274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.747053 (E_RNA)
where:
Base-Base interactions energy: -324.766
where: short stacking energy: -138.009
Base-Backbone interact. energy: -1.651
local terms energy: -158.330645
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -40.674
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: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -442.562886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.562886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.166290 (E_RNA)
where:
Base-Base interactions energy: -302.064
where: short stacking energy: -114.589
Base-Backbone interact. energy: -0.938
local terms energy: -141.163938
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -36.220
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -411.642454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.642454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.915018 (E_RNA)
where:
Base-Base interactions energy: -277.524
where: short stacking energy: -101.393
Base-Backbone interact. energy: -1.063
local terms energy: -133.327815
where:
bonds (distance) C4'-P energy: -27.910
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -25.588
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: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -555.055423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.055423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.575200 (E_RNA)
where:
Base-Base interactions energy: -379.309
where: short stacking energy: -155.635
Base-Backbone interact. energy: -0.694
local terms energy: -175.572068
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -41.269
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -49.761
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -539.296714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.296714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.535826 (E_RNA)
where:
Base-Base interactions energy: -377.706
where: short stacking energy: -152.355
Base-Backbone interact. energy: -0.706
local terms energy: -161.124285
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -41.296
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -550.214324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.214324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.831436 (E_RNA)
where:
Base-Base interactions energy: -368.095
where: short stacking energy: -140.260
Base-Backbone interact. energy: -1.229
local terms energy: -181.507505
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -47.250
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: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -516.900714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.900714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.729905 (E_RNA)
where:
Base-Base interactions energy: -354.010
where: short stacking energy: -144.957
Base-Backbone interact. energy: -2.059
local terms energy: -161.661141
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -42.423
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: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -507.219764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.219764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.566163 (E_RNA)
where:
Base-Base interactions energy: -352.729
where: short stacking energy: -141.299
Base-Backbone interact. energy: -0.523
local terms energy: -154.314071
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -41.298
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -462.765697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.765697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.607585 (E_RNA)
where:
Base-Base interactions energy: -322.942
where: short stacking energy: -123.885
Base-Backbone interact. energy: 0.158
local terms energy: -140.823601
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -29.583
Dist. restrs. and SS energy: 0.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -463.716482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.716482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.497124 (E_RNA)
where:
Base-Base interactions energy: -315.787
where: short stacking energy: -118.066
Base-Backbone interact. energy: -0.582
local terms energy: -148.128491
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -31.902
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: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -469.898162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.898162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.467662 (E_RNA)
where:
Base-Base interactions energy: -331.262
where: short stacking energy: -121.038
Base-Backbone interact. energy: 1.559
local terms energy: -140.764678
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -33.026
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -448.800945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.800945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.367257 (E_RNA)
where:
Base-Base interactions energy: -320.024
where: short stacking energy: -108.003
Base-Backbone interact. energy: -0.331
local terms energy: -129.012038
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -433.099074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.099074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.810566 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -123.143
Base-Backbone interact. energy: 0.313
local terms energy: -128.686065
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -37.032
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: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -556.508368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.508368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.179364 (E_RNA)
where:
Base-Base interactions energy: -392.203
where: short stacking energy: -157.712
Base-Backbone interact. energy: -0.412
local terms energy: -164.564255
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -41.170
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -42.968
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -544.701591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.701591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.276084 (E_RNA)
where:
Base-Base interactions energy: -375.667
where: short stacking energy: -149.822
Base-Backbone interact. energy: -0.518
local terms energy: -169.091140
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -30.631
flat angles C4'-P-C4' energy: -41.507
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -545.616151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.978094 (E_RNA)
where:
Base-Base interactions energy: -371.300
where: short stacking energy: -139.375
Base-Backbone interact. energy: -0.381
local terms energy: -174.297123
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -40.242
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -41.070
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: 225
Temperature: 1.050000
Total energy: -502.524528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.524528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.872679 (E_RNA)
where:
Base-Base interactions energy: -340.297
where: short stacking energy: -149.327
Base-Backbone interact. energy: -0.807
local terms energy: -161.769316
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -42.964
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: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -488.118022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.118022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.786134 (E_RNA)
where:
Base-Base interactions energy: -342.151
where: short stacking energy: -137.606
Base-Backbone interact. energy: -0.333
local terms energy: -146.301532
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -41.184
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: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -473.926143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.926143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.433531 (E_RNA)
where:
Base-Base interactions energy: -329.907
where: short stacking energy: -128.432
Base-Backbone interact. energy: -0.970
local terms energy: -143.557191
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -36.061
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -472.120005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.120005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.877287 (E_RNA)
where:
Base-Base interactions energy: -331.848
where: short stacking energy: -135.002
Base-Backbone interact. energy: -0.515
local terms energy: -140.514338
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -35.702
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: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -444.285665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.285665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.796598 (E_RNA)
where:
Base-Base interactions energy: -311.912
where: short stacking energy: -111.680
Base-Backbone interact. energy: -0.895
local terms energy: -131.990170
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -27.168
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: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -473.843468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.843468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.501594 (E_RNA)
where:
Base-Base interactions energy: -328.149
where: short stacking energy: -119.140
Base-Backbone interact. energy: -0.331
local terms energy: -146.021180
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -34.097
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: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -429.240938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.240938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.758765 (E_RNA)
where:
Base-Base interactions energy: -300.840
where: short stacking energy: -113.087
Base-Backbone interact. energy: -0.171
local terms energy: -128.748335
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -33.048
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -540.796374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.796374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.665579 (E_RNA)
where:
Base-Base interactions energy: -367.871
where: short stacking energy: -145.729
Base-Backbone interact. energy: -0.856
local terms energy: -172.938384
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -42.607
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: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -550.363120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.363120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.124184 (E_RNA)
where:
Base-Base interactions energy: -376.767
where: short stacking energy: -151.122
Base-Backbone interact. energy: -2.236
local terms energy: -172.121509
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -40.113
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -532.972128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.972128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.983262 (E_RNA)
where:
Base-Base interactions energy: -377.028
where: short stacking energy: -153.384
Base-Backbone interact. energy: -0.932
local terms energy: -155.024115
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -42.049
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -498.023004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.023004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.419561 (E_RNA)
where:
Base-Base interactions energy: -341.382
where: short stacking energy: -138.914
Base-Backbone interact. energy: 0.004
local terms energy: -157.042092
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -38.380
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -507.179730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.179730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.347755 (E_RNA)
where:
Base-Base interactions energy: -350.733
where: short stacking energy: -142.098
Base-Backbone interact. energy: -0.352
local terms energy: -156.262723
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -40.047
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -469.187232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.187232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.825379 (E_RNA)
where:
Base-Base interactions energy: -336.287
where: short stacking energy: -135.298
Base-Backbone interact. energy: -0.154
local terms energy: -133.384047
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -34.180
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -36.627
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -484.573002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.573002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.135709 (E_RNA)
where:
Base-Base interactions energy: -335.138
where: short stacking energy: -139.740
Base-Backbone interact. energy: -0.406
local terms energy: -149.591322
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -435.067171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.067171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.377072 (E_RNA)
where:
Base-Base interactions energy: -297.447
where: short stacking energy: -117.299
Base-Backbone interact. energy: 2.107
local terms energy: -140.036755
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -34.559
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: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -432.020884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.020884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.449904 (E_RNA)
where:
Base-Base interactions energy: -294.686
where: short stacking energy: -119.087
Base-Backbone interact. energy: -0.454
local terms energy: -138.309639
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -423.624184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.624184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.837795 (E_RNA)
where:
Base-Base interactions energy: -308.123
where: short stacking energy: -115.760
Base-Backbone interact. energy: -0.527
local terms energy: -117.187516
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 2.214 (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: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -551.157943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.157943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.712575 (E_RNA)
where:
Base-Base interactions energy: -375.568
where: short stacking energy: -159.298
Base-Backbone interact. energy: -0.489
local terms energy: -175.654763
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -39.975
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -48.364
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: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -538.554118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.554118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.082232 (E_RNA)
where:
Base-Base interactions energy: -379.807
where: short stacking energy: -146.272
Base-Backbone interact. energy: -1.632
local terms energy: -157.643242
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -42.400
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -524.811139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.811139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.439849 (E_RNA)
where:
Base-Base interactions energy: -358.682
where: short stacking energy: -151.157
Base-Backbone interact. energy: -1.042
local terms energy: -165.715102
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -40.644
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: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -523.324490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.324490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.634942 (E_RNA)
where:
Base-Base interactions energy: -365.499
where: short stacking energy: -154.596
Base-Backbone interact. energy: 0.161
local terms energy: -158.296504
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -39.227
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: 227
Temperature: 1.100000
Total energy: -504.907297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.907297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.475728 (E_RNA)
where:
Base-Base interactions energy: -363.899
where: short stacking energy: -143.839
Base-Backbone interact. energy: -0.808
local terms energy: -141.768779
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -40.335
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -489.056135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.056135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.253543 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -141.910
Base-Backbone interact. energy: -0.243
local terms energy: -147.626931
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -35.691
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -477.257594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.257594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.609162 (E_RNA)
where:
Base-Base interactions energy: -340.439
where: short stacking energy: -137.813
Base-Backbone interact. energy: -0.422
local terms energy: -136.748881
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -455.213466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.213466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.690288 (E_RNA)
where:
Base-Base interactions energy: -314.590
where: short stacking energy: -122.273
Base-Backbone interact. energy: 0.738
local terms energy: -142.838766
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -439.971286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.971286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.380180 (E_RNA)
where:
Base-Base interactions energy: -320.123
where: short stacking energy: -120.300
Base-Backbone interact. energy: 0.745
local terms energy: -121.001546
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -34.061
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: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -437.207734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.207734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.105848 (E_RNA)
where:
Base-Base interactions energy: -304.274
where: short stacking energy: -111.682
Base-Backbone interact. energy: -1.948
local terms energy: -131.884059
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -30.978
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: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -553.032683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.032683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.284504 (E_RNA)
where:
Base-Base interactions energy: -382.986
where: short stacking energy: -155.313
Base-Backbone interact. energy: -0.241
local terms energy: -170.058024
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -39.856
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -550.577153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.577153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.152273 (E_RNA)
where:
Base-Base interactions energy: -378.043
where: short stacking energy: -159.552
Base-Backbone interact. energy: -0.645
local terms energy: -172.464120
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -45.641
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: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -533.815064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.815064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.276823 (E_RNA)
where:
Base-Base interactions energy: -369.263
where: short stacking energy: -152.160
Base-Backbone interact. energy: -0.389
local terms energy: -164.624718
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -43.683
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -502.395803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.395803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.970549 (E_RNA)
where:
Base-Base interactions energy: -345.504
where: short stacking energy: -140.353
Base-Backbone interact. energy: -0.432
local terms energy: -157.033709
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -37.804
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: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -514.831230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.831230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.195867 (E_RNA)
where:
Base-Base interactions energy: -348.898
where: short stacking energy: -138.912
Base-Backbone interact. energy: -0.575
local terms energy: -166.723194
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -43.288
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: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -494.472249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.472249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.778035 (E_RNA)
where:
Base-Base interactions energy: -339.695
where: short stacking energy: -142.545
Base-Backbone interact. energy: -0.539
local terms energy: -154.544445
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -42.075
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -474.446319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.446319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.101731 (E_RNA)
where:
Base-Base interactions energy: -314.201
where: short stacking energy: -120.845
Base-Backbone interact. energy: -0.105
local terms energy: -160.795775
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -37.595
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -474.230434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.230434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.826897 (E_RNA)
where:
Base-Base interactions energy: -323.777
where: short stacking energy: -126.685
Base-Backbone interact. energy: -0.710
local terms energy: -150.339985
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -33.489
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -35.901
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -446.641663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.641663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.736855 (E_RNA)
where:
Base-Base interactions energy: -313.010
where: short stacking energy: -128.076
Base-Backbone interact. energy: 2.727
local terms energy: -137.453748
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -31.728
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -455.912323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.912323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.313774 (E_RNA)
where:
Base-Base interactions energy: -322.079
where: short stacking energy: -134.848
Base-Backbone interact. energy: -0.510
local terms energy: -133.724213
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -34.790
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: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -554.672275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.672275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.217245 (E_RNA)
where:
Base-Base interactions energy: -389.582
where: short stacking energy: -154.606
Base-Backbone interact. energy: -0.351
local terms energy: -165.284128
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -42.361
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -532.273608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.273608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.543247 (E_RNA)
where:
Base-Base interactions energy: -354.180
where: short stacking energy: -148.493
Base-Backbone interact. energy: -2.396
local terms energy: -175.967981
where:
bonds (distance) C4'-P energy: -32.398
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -42.952
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -528.146191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.146191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.407856 (E_RNA)
where:
Base-Base interactions energy: -369.947
where: short stacking energy: -147.725
Base-Backbone interact. energy: -0.074
local terms energy: -158.387368
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -40.786
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -508.766607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.766607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.586091 (E_RNA)
where:
Base-Base interactions energy: -348.828
where: short stacking energy: -148.838
Base-Backbone interact. energy: 0.145
local terms energy: -160.902629
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -35.946
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -39.436
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -468.022178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.022178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.166461 (E_RNA)
where:
Base-Base interactions energy: -329.410
where: short stacking energy: -128.397
Base-Backbone interact. energy: -0.145
local terms energy: -138.611812
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -31.383
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -482.142567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.142567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.163121 (E_RNA)
where:
Base-Base interactions energy: -317.753
where: short stacking energy: -120.810
Base-Backbone interact. energy: -0.868
local terms energy: -164.542144
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -485.953165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.953165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.267695 (E_RNA)
where:
Base-Base interactions energy: -337.566
where: short stacking energy: -132.402
Base-Backbone interact. energy: 0.114
local terms energy: -148.816360
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -44.850
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: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -450.810183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.810183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.187230 (E_RNA)
where:
Base-Base interactions energy: -324.959
where: short stacking energy: -118.992
Base-Backbone interact. energy: -1.606
local terms energy: -124.622087
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -32.488
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -463.646019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.646019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.037578 (E_RNA)
where:
Base-Base interactions energy: -319.125
where: short stacking energy: -122.445
Base-Backbone interact. energy: -1.662
local terms energy: -143.250324
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -36.918
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -419.113697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.113697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.394142 (E_RNA)
where:
Base-Base interactions energy: -291.861
where: short stacking energy: -108.457
Base-Backbone interact. energy: 0.636
local terms energy: -128.168676
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -21.176
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: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -556.899474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.899474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.077024 (E_RNA)
where:
Base-Base interactions energy: -388.414
where: short stacking energy: -157.954
Base-Backbone interact. energy: -0.864
local terms energy: -167.799810
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -36.544
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -45.972
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: 230
Temperature: 0.950000
Total energy: -533.915739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.915739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.253526 (E_RNA)
where:
Base-Base interactions energy: -364.700
where: short stacking energy: -142.133
Base-Backbone interact. energy: -1.674
local terms energy: -167.880129
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -528.592962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.176751 (E_RNA)
where:
Base-Base interactions energy: -361.152
where: short stacking energy: -142.060
Base-Backbone interact. energy: -1.413
local terms energy: -166.612275
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -36.653
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -510.074986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.074986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.491774 (E_RNA)
where:
Base-Base interactions energy: -348.795
where: short stacking energy: -140.248
Base-Backbone interact. energy: 1.024
local terms energy: -163.720559
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -41.438
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -475.574339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.574339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.045040 (E_RNA)
where:
Base-Base interactions energy: -319.819
where: short stacking energy: -134.519
Base-Backbone interact. energy: -0.170
local terms energy: -156.055863
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -37.066
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -468.310625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.310625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.937690 (E_RNA)
where:
Base-Base interactions energy: -325.143
where: short stacking energy: -133.057
Base-Backbone interact. energy: -0.264
local terms energy: -143.530832
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -33.187
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: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -473.144720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.144720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.359343 (E_RNA)
where:
Base-Base interactions energy: -335.556
where: short stacking energy: -138.899
Base-Backbone interact. energy: 0.037
local terms energy: -137.840314
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -35.675
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -38.651
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: 230
Temperature: 1.250000
Total energy: -450.764053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.764053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.042162 (E_RNA)
where:
Base-Base interactions energy: -320.692
where: short stacking energy: -126.447
Base-Backbone interact. energy: 0.476
local terms energy: -130.825622
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -32.227
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: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -458.228788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.228788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.975456 (E_RNA)
where:
Base-Base interactions energy: -303.906
where: short stacking energy: -119.133
Base-Backbone interact. energy: -0.683
local terms energy: -154.386985
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -40.679
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -442.699036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.699036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.105319 (E_RNA)
where:
Base-Base interactions energy: -311.747
where: short stacking energy: -118.288
Base-Backbone interact. energy: 0.773
local terms energy: -132.131801
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -33.065
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -28.698
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -547.752104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.752104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.350873 (E_RNA)
where:
Base-Base interactions energy: -377.983
where: short stacking energy: -151.956
Base-Backbone interact. energy: 0.189
local terms energy: -170.557652
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -29.148
tors. eta vs tors. theta energy: -43.000
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -538.112109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.112109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.529064 (E_RNA)
where:
Base-Base interactions energy: -368.188
where: short stacking energy: -147.882
Base-Backbone interact. energy: -2.113
local terms energy: -168.227281
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -44.552
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -536.419480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.419480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.473206 (E_RNA)
where:
Base-Base interactions energy: -379.033
where: short stacking energy: -151.235
Base-Backbone interact. energy: -0.456
local terms energy: -157.984372
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -40.658
Dist. restrs. and SS energy: 1.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -492.450534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.450534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.690005 (E_RNA)
where:
Base-Base interactions energy: -336.186
where: short stacking energy: -133.120
Base-Backbone interact. energy: -0.167
local terms energy: -157.336686
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -41.632
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -485.991248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.991248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.331026 (E_RNA)
where:
Base-Base interactions energy: -332.873
where: short stacking energy: -127.644
Base-Backbone interact. energy: -0.593
local terms energy: -153.865792
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -483.668805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.668805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.081387 (E_RNA)
where:
Base-Base interactions energy: -324.703
where: short stacking energy: -133.894
Base-Backbone interact. energy: -0.589
local terms energy: -158.789288
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -41.617
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: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -450.620684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.620684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.919964 (E_RNA)
where:
Base-Base interactions energy: -319.891
where: short stacking energy: -130.392
Base-Backbone interact. energy: -0.551
local terms energy: -130.477342
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -41.345
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: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -459.719253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.719253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.971566 (E_RNA)
where:
Base-Base interactions energy: -326.998
where: short stacking energy: -126.206
Base-Backbone interact. energy: -0.486
local terms energy: -132.487261
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -35.814
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: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -448.777249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.777249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.164160 (E_RNA)
where:
Base-Base interactions energy: -318.815
where: short stacking energy: -119.690
Base-Backbone interact. energy: 0.663
local terms energy: -131.011839
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -32.259
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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -458.218865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.218865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.392612 (E_RNA)
where:
Base-Base interactions energy: -310.313
where: short stacking energy: -123.258
Base-Backbone interact. energy: -1.845
local terms energy: -146.234522
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -38.225
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -542.235553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.235553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.790732 (E_RNA)
where:
Base-Base interactions energy: -369.855
where: short stacking energy: -156.388
Base-Backbone interact. energy: -0.552
local terms energy: -172.383162
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -45.850
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: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -540.348124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.348124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.530425 (E_RNA)
where:
Base-Base interactions energy: -374.266
where: short stacking energy: -144.021
Base-Backbone interact. energy: -0.209
local terms energy: -166.055032
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -33.961
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -38.862
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -507.508079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.508079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.315616 (E_RNA)
where:
Base-Base interactions energy: -343.278
where: short stacking energy: -145.165
Base-Backbone interact. energy: -0.152
local terms energy: -164.885525
where:
bonds (distance) C4'-P energy: -30.247
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -37.696
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -39.305
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: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -529.177962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.177962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.019207 (E_RNA)
where:
Base-Base interactions energy: -363.569
where: short stacking energy: -136.127
Base-Backbone interact. energy: -2.133
local terms energy: -165.317637
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -33.897
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -23.104
tors. eta vs tors. theta energy: -40.598
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -512.564046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.564046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.888180 (E_RNA)
where:
Base-Base interactions energy: -350.649
where: short stacking energy: -143.324
Base-Backbone interact. energy: 1.139
local terms energy: -163.378511
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: -43.137
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -472.663389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.663389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.896506 (E_RNA)
where:
Base-Base interactions energy: -326.581
where: short stacking energy: -128.819
Base-Backbone interact. energy: -1.575
local terms energy: -146.740918
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 2.233 (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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -459.087480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.087480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.318604 (E_RNA)
where:
Base-Base interactions energy: -312.913
where: short stacking energy: -131.497
Base-Backbone interact. energy: -0.531
local terms energy: -145.874704
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -35.083
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: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -472.661382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.661382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.054672 (E_RNA)
where:
Base-Base interactions energy: -327.037
where: short stacking energy: -127.793
Base-Backbone interact. energy: 0.224
local terms energy: -146.241955
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -34.168
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -423.386974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.386974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.542301 (E_RNA)
where:
Base-Base interactions energy: -301.955
where: short stacking energy: -115.303
Base-Backbone interact. energy: -0.253
local terms energy: -121.334501
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -28.322
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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -439.014472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.014472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.262242 (E_RNA)
where:
Base-Base interactions energy: -316.367
where: short stacking energy: -124.103
Base-Backbone interact. energy: 2.991
local terms energy: -125.886306
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -31.436
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: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -547.990300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.990300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.366209 (E_RNA)
where:
Base-Base interactions energy: -370.052
where: short stacking energy: -167.256
Base-Backbone interact. energy: -1.520
local terms energy: -176.794159
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -41.915
flat angles P-C4'-P energy: -29.242
tors. eta vs tors. theta energy: -48.330
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: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -552.650065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.650065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.928244 (E_RNA)
where:
Base-Base interactions energy: -369.507
where: short stacking energy: -154.109
Base-Backbone interact. energy: 0.271
local terms energy: -183.691975
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -47.617
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: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -504.174041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.174041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.527178 (E_RNA)
where:
Base-Base interactions energy: -346.769
where: short stacking energy: -139.023
Base-Backbone interact. energy: 0.120
local terms energy: -157.878465
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -37.579
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: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -522.887937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.887937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.402766 (E_RNA)
where:
Base-Base interactions energy: -363.995
where: short stacking energy: -153.316
Base-Backbone interact. energy: -2.149
local terms energy: -157.258537
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -40.153
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -506.398930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.398930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.076257 (E_RNA)
where:
Base-Base interactions energy: -345.519
where: short stacking energy: -147.101
Base-Backbone interact. energy: 0.555
local terms energy: -162.112391
where:
bonds (distance) C4'-P energy: -34.557
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -40.809
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: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -468.845675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.845675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.362963 (E_RNA)
where:
Base-Base interactions energy: -330.640
where: short stacking energy: -125.332
Base-Backbone interact. energy: 3.030
local terms energy: -141.753397
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -47.561
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: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -454.850593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.850593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.338296 (E_RNA)
where:
Base-Base interactions energy: -307.496
where: short stacking energy: -118.885
Base-Backbone interact. energy: 0.858
local terms energy: -148.700131
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -36.015
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: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -471.112126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.112126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.381841 (E_RNA)
where:
Base-Base interactions energy: -328.884
where: short stacking energy: -125.540
Base-Backbone interact. energy: -1.083
local terms energy: -141.415370
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -423.725883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.725883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.335256 (E_RNA)
where:
Base-Base interactions energy: -291.645
where: short stacking energy: -106.600
Base-Backbone interact. energy: -0.476
local terms energy: -132.214316
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -27.619
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -450.888411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.888411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.556564 (E_RNA)
where:
Base-Base interactions energy: -310.554
where: short stacking energy: -126.965
Base-Backbone interact. energy: -0.103
local terms energy: -140.900075
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -37.786
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: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -557.282521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.282521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.668999 (E_RNA)
where:
Base-Base interactions energy: -386.357
where: short stacking energy: -158.087
Base-Backbone interact. energy: -0.872
local terms energy: -170.440546
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -47.870
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: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -545.731305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.731305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.903939 (E_RNA)
where:
Base-Base interactions energy: -389.689
where: short stacking energy: -149.068
Base-Backbone interact. energy: -0.413
local terms energy: -155.801068
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -46.540
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -533.106196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.106196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.398147 (E_RNA)
where:
Base-Base interactions energy: -374.099
where: short stacking energy: -153.252
Base-Backbone interact. energy: 0.321
local terms energy: -160.620487
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -44.333
Dist. restrs. and SS energy: 1.292 (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: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -498.004315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.004315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.367265 (E_RNA)
where:
Base-Base interactions energy: -343.562
where: short stacking energy: -149.882
Base-Backbone interact. energy: -0.097
local terms energy: -154.708527
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -40.888
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: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -518.403971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.403971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.283857 (E_RNA)
where:
Base-Base interactions energy: -347.885
where: short stacking energy: -138.804
Base-Backbone interact. energy: -2.925
local terms energy: -168.474354
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -39.896
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -482.753077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.753077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.351028 (E_RNA)
where:
Base-Base interactions energy: -323.076
where: short stacking energy: -125.015
Base-Backbone interact. energy: -0.791
local terms energy: -159.484378
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -38.164
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -477.788546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.788546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.202604 (E_RNA)
where:
Base-Base interactions energy: -335.502
where: short stacking energy: -139.417
Base-Backbone interact. energy: -0.147
local terms energy: -142.553277
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -43.710
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: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -449.560410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.560410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.905851 (E_RNA)
where:
Base-Base interactions energy: -311.929
where: short stacking energy: -120.811
Base-Backbone interact. energy: 0.159
local terms energy: -138.135575
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -28.939
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -476.418801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.418801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.739047 (E_RNA)
where:
Base-Base interactions energy: -339.779
where: short stacking energy: -129.180
Base-Backbone interact. energy: -0.963
local terms energy: -135.997092
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -43.452
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: 234
Temperature: 1.350000
Total energy: -428.290872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.290872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.544462 (E_RNA)
where:
Base-Base interactions energy: -293.312
where: short stacking energy: -111.774
Base-Backbone interact. energy: -1.082
local terms energy: -134.151041
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -21.860
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -544.506539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.506539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.987292 (E_RNA)
where:
Base-Base interactions energy: -380.502
where: short stacking energy: -148.662
Base-Backbone interact. energy: -0.282
local terms energy: -164.202594
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -44.469
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -527.572288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.572288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.062829 (E_RNA)
where:
Base-Base interactions energy: -362.784
where: short stacking energy: -146.017
Base-Backbone interact. energy: 0.454
local terms energy: -165.732633
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -38.990
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: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -531.885828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.885828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.391968 (E_RNA)
where:
Base-Base interactions energy: -355.349
where: short stacking energy: -144.909
Base-Backbone interact. energy: -1.223
local terms energy: -175.819956
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -41.619
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -43.029
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -529.477729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.477729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.020128 (E_RNA)
where:
Base-Base interactions energy: -364.303
where: short stacking energy: -142.838
Base-Backbone interact. energy: -1.875
local terms energy: -164.842098
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -35.886
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -42.136
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: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -483.091428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.091428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.590861 (E_RNA)
where:
Base-Base interactions energy: -343.358
where: short stacking energy: -133.739
Base-Backbone interact. energy: -0.389
local terms energy: -139.843595
where:
bonds (distance) C4'-P energy: -30.741
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -39.788
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: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -478.094295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.094295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.335523 (E_RNA)
where:
Base-Base interactions energy: -331.758
where: short stacking energy: -130.210
Base-Backbone interact. energy: -0.001
local terms energy: -146.577031
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -33.166
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -486.659369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.659369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.309588 (E_RNA)
where:
Base-Base interactions energy: -348.053
where: short stacking energy: -146.765
Base-Backbone interact. energy: -0.659
local terms energy: -138.597683
where:
bonds (distance) C4'-P energy: -36.313
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -35.572
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -455.903982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.903982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.353262 (E_RNA)
where:
Base-Base interactions energy: -310.057
where: short stacking energy: -120.510
Base-Backbone interact. energy: -1.855
local terms energy: -145.441248
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -37.150
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -36.913
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -427.270352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.270352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.872552 (E_RNA)
where:
Base-Base interactions energy: -315.896
where: short stacking energy: -117.894
Base-Backbone interact. energy: -0.008
local terms energy: -111.968978
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -26.905
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -422.156503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.156503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.411012 (E_RNA)
where:
Base-Base interactions energy: -299.054
where: short stacking energy: -122.684
Base-Backbone interact. energy: 2.730
local terms energy: -126.087325
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -557.351155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.862728 (E_RNA)
where:
Base-Base interactions energy: -379.165
where: short stacking energy: -145.391
Base-Backbone interact. energy: -1.775
local terms energy: -176.922341
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -47.675
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -534.899811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.899811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.437271 (E_RNA)
where:
Base-Base interactions energy: -367.674
where: short stacking energy: -144.889
Base-Backbone interact. energy: -0.498
local terms energy: -168.265558
where:
bonds (distance) C4'-P energy: -34.744
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -42.595
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -529.674762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.674762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.941721 (E_RNA)
where:
Base-Base interactions energy: -369.079
where: short stacking energy: -153.520
Base-Backbone interact. energy: -1.040
local terms energy: -159.823305
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -37.481
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -44.331
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: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -520.669713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.669713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.018404 (E_RNA)
where:
Base-Base interactions energy: -360.581
where: short stacking energy: -146.029
Base-Backbone interact. energy: -1.021
local terms energy: -159.416610
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -33.435
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -42.541
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: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -471.514639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.514639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.695215 (E_RNA)
where:
Base-Base interactions energy: -321.545
where: short stacking energy: -133.385
Base-Backbone interact. energy: -0.385
local terms energy: -149.765457
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -30.707
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -457.086073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.086073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.174828 (E_RNA)
where:
Base-Base interactions energy: -311.544
where: short stacking energy: -120.247
Base-Backbone interact. energy: -0.799
local terms energy: -146.831740
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -27.914
Dist. restrs. and SS energy: 2.089 (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: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -492.965225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.965225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.443351 (E_RNA)
where:
Base-Base interactions energy: -341.746
where: short stacking energy: -135.842
Base-Backbone interact. energy: -0.827
local terms energy: -150.870420
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -40.359
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: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -447.180972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.180972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.935135 (E_RNA)
where:
Base-Base interactions energy: -314.849
where: short stacking energy: -133.044
Base-Backbone interact. energy: -0.923
local terms energy: -132.163080
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -29.129
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: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -450.527274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.527274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.741513 (E_RNA)
where:
Base-Base interactions energy: -316.109
where: short stacking energy: -122.621
Base-Backbone interact. energy: 1.945
local terms energy: -136.577344
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -27.572
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: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -423.650252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.650252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.244921 (E_RNA)
where:
Base-Base interactions energy: -311.062
where: short stacking energy: -117.900
Base-Backbone interact. energy: 1.079
local terms energy: -114.262018
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -25.901
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: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -544.480509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.480509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.059779 (E_RNA)
where:
Base-Base interactions energy: -370.023
where: short stacking energy: -161.691
Base-Backbone interact. energy: -0.546
local terms energy: -174.490640
where:
bonds (distance) C4'-P energy: -35.961
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -44.745
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: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -545.238050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.238050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.735433 (E_RNA)
where:
Base-Base interactions energy: -385.512
where: short stacking energy: -157.925
Base-Backbone interact. energy: -0.739
local terms energy: -159.484306
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -39.166
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -536.896674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.896674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.829428 (E_RNA)
where:
Base-Base interactions energy: -369.676
where: short stacking energy: -147.444
Base-Backbone interact. energy: 0.518
local terms energy: -168.671469
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -36.745
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -42.207
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: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -511.717609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.717609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.390863 (E_RNA)
where:
Base-Base interactions energy: -351.602
where: short stacking energy: -140.066
Base-Backbone interact. energy: -1.229
local terms energy: -159.559534
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -39.224
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -32.154
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: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -483.453707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.453707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.541122 (E_RNA)
where:
Base-Base interactions energy: -330.576
where: short stacking energy: -140.789
Base-Backbone interact. energy: -1.386
local terms energy: -151.578601
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -36.501
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -34.404
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -502.809787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.809787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.132429 (E_RNA)
where:
Base-Base interactions energy: -351.896
where: short stacking energy: -128.141
Base-Backbone interact. energy: -1.033
local terms energy: -150.202757
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -451.926661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.926661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.701321 (E_RNA)
where:
Base-Base interactions energy: -313.646
where: short stacking energy: -124.661
Base-Backbone interact. energy: -1.809
local terms energy: -138.246147
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -33.513
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -458.012736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.012736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.806710 (E_RNA)
where:
Base-Base interactions energy: -313.144
where: short stacking energy: -126.405
Base-Backbone interact. energy: -1.071
local terms energy: -144.591053
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -438.734986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.734986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.306820 (E_RNA)
where:
Base-Base interactions energy: -314.676
where: short stacking energy: -115.803
Base-Backbone interact. energy: -0.647
local terms energy: -123.984350
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -29.444
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: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -371.120607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.120607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.616651 (E_RNA)
where:
Base-Base interactions energy: -278.383
where: short stacking energy: -109.814
Base-Backbone interact. energy: 1.197
local terms energy: -106.430385
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 12.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -557.977652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.977652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.288403 (E_RNA)
where:
Base-Base interactions energy: -382.721
where: short stacking energy: -149.719
Base-Backbone interact. energy: -0.838
local terms energy: -174.729025
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -43.213
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: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -544.627030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.627030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.144894 (E_RNA)
where:
Base-Base interactions energy: -388.250
where: short stacking energy: -164.659
Base-Backbone interact. energy: 2.490
local terms energy: -159.384237
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -43.499
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: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -516.915457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.915457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.385628 (E_RNA)
where:
Base-Base interactions energy: -347.088
where: short stacking energy: -153.090
Base-Backbone interact. energy: -1.034
local terms energy: -169.262966
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -46.851
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -513.744026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.744026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.399219 (E_RNA)
where:
Base-Base interactions energy: -352.962
where: short stacking energy: -137.741
Base-Backbone interact. energy: -0.364
local terms energy: -161.073537
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -494.246487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.246487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.695999 (E_RNA)
where:
Base-Base interactions energy: -342.512
where: short stacking energy: -136.969
Base-Backbone interact. energy: 0.971
local terms energy: -153.155384
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -42.362
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: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -471.674786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.674786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.076578 (E_RNA)
where:
Base-Base interactions energy: -331.600
where: short stacking energy: -137.701
Base-Backbone interact. energy: -0.152
local terms energy: -140.324540
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -34.705
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: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -479.285789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.285789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.781951 (E_RNA)
where:
Base-Base interactions energy: -336.935
where: short stacking energy: -130.838
Base-Backbone interact. energy: -0.337
local terms energy: -142.509562
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -37.024
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: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -447.237909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.237909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.662639 (E_RNA)
where:
Base-Base interactions energy: -296.264
where: short stacking energy: -118.221
Base-Backbone interact. energy: -0.331
local terms energy: -151.066923
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -30.756
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -428.962016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.962016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.132386 (E_RNA)
where:
Base-Base interactions energy: -300.371
where: short stacking energy: -111.376
Base-Backbone interact. energy: -0.616
local terms energy: -128.145504
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -31.789
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -35.565
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: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -384.947269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.947269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.433063 (E_RNA)
where:
Base-Base interactions energy: -262.398
where: short stacking energy: -99.733
Base-Backbone interact. energy: -0.200
local terms energy: -126.835158
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 4.486 (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: 239
Temperature: 0.900000
Total energy: -552.652486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.652486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.527760 (E_RNA)
where:
Base-Base interactions energy: -380.873
where: short stacking energy: -161.777
Base-Backbone interact. energy: -1.745
local terms energy: -170.910437
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -43.662
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -555.407804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.407804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.812796 (E_RNA)
where:
Base-Base interactions energy: -369.932
where: short stacking energy: -151.610
Base-Backbone interact. energy: -0.646
local terms energy: -185.234441
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -42.041
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -44.733
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: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -533.932091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.932091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.331358 (E_RNA)
where:
Base-Base interactions energy: -364.864
where: short stacking energy: -152.140
Base-Backbone interact. energy: -1.086
local terms energy: -168.381390
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -44.600
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: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -515.495145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.495145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.404838 (E_RNA)
where:
Base-Base interactions energy: -358.623
where: short stacking energy: -147.095
Base-Backbone interact. energy: -1.727
local terms energy: -156.055017
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -42.217
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -501.953392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.953392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.409088 (E_RNA)
where:
Base-Base interactions energy: -340.800
where: short stacking energy: -136.441
Base-Backbone interact. energy: 0.080
local terms energy: -161.688932
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -36.510
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -40.684
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: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -492.505516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.505516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.434879 (E_RNA)
where:
Base-Base interactions energy: -353.152
where: short stacking energy: -141.521
Base-Backbone interact. energy: -0.082
local terms energy: -140.201273
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -36.890
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: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -455.369926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.369926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.565962 (E_RNA)
where:
Base-Base interactions energy: -309.771
where: short stacking energy: -125.411
Base-Backbone interact. energy: -1.012
local terms energy: -144.782789
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -36.929
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -442.016128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.016128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.327068 (E_RNA)
where:
Base-Base interactions energy: -297.524
where: short stacking energy: -104.606
Base-Backbone interact. energy: -1.293
local terms energy: -143.509998
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -32.086
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: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -452.736318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.736318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.194608 (E_RNA)
where:
Base-Base interactions energy: -311.356
where: short stacking energy: -130.791
Base-Backbone interact. energy: -0.281
local terms energy: -142.557960
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -36.015
Dist. restrs. and SS energy: 1.458 (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: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -413.611519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.611519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.965501 (E_RNA)
where:
Base-Base interactions energy: -272.473
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.516
local terms energy: -140.976795
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -26.064
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: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -564.970979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.970979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.525016 (E_RNA)
where:
Base-Base interactions energy: -387.390
where: short stacking energy: -158.380
Base-Backbone interact. energy: -0.868
local terms energy: -177.266891
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -47.306
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: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -551.326814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.326814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.866376 (E_RNA)
where:
Base-Base interactions energy: -377.808
where: short stacking energy: -156.651
Base-Backbone interact. energy: -1.813
local terms energy: -172.245172
where:
bonds (distance) C4'-P energy: -33.646
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -47.564
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: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -526.487202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.487202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.941683 (E_RNA)
where:
Base-Base interactions energy: -365.283
where: short stacking energy: -144.865
Base-Backbone interact. energy: -0.696
local terms energy: -160.962865
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -36.228
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -43.555
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: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -512.771712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.771712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.357762 (E_RNA)
where:
Base-Base interactions energy: -356.827
where: short stacking energy: -134.171
Base-Backbone interact. energy: -1.442
local terms energy: -155.089274
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -40.442
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: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -501.538769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.538769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.863874 (E_RNA)
where:
Base-Base interactions energy: -356.922
where: short stacking energy: -143.250
Base-Backbone interact. energy: 0.280
local terms energy: -145.222462
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -36.053
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: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -492.069865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.069865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.337637 (E_RNA)
where:
Base-Base interactions energy: -344.603
where: short stacking energy: -142.030
Base-Backbone interact. energy: -0.680
local terms energy: -147.054656
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -43.159
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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -467.885114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.885114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.471522 (E_RNA)
where:
Base-Base interactions energy: -339.014
where: short stacking energy: -131.627
Base-Backbone interact. energy: -0.726
local terms energy: -128.730551
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -31.231
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: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -433.415168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.415168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.674599 (E_RNA)
where:
Base-Base interactions energy: -307.977
where: short stacking energy: -121.294
Base-Backbone interact. energy: -1.503
local terms energy: -124.194185
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -31.123
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: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -433.850463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.850463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.326547 (E_RNA)
where:
Base-Base interactions energy: -304.794
where: short stacking energy: -118.710
Base-Backbone interact. energy: -1.138
local terms energy: -128.395229
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -30.260
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: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -424.566088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.566088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.755964 (E_RNA)
where:
Base-Base interactions energy: -303.779
where: short stacking energy: -110.267
Base-Backbone interact. energy: 1.022
local terms energy: -121.999428
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -23.519
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: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -547.765124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.765124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.460023 (E_RNA)
where:
Base-Base interactions energy: -377.134
where: short stacking energy: -149.529
Base-Backbone interact. energy: -0.572
local terms energy: -170.754089
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -38.218
flat angles P-C4'-P energy: -28.470
tors. eta vs tors. theta energy: -42.840
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: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -549.592644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.592644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.351708 (E_RNA)
where:
Base-Base interactions energy: -378.100
where: short stacking energy: -149.414
Base-Backbone interact. energy: -0.766
local terms energy: -171.485344
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -41.669
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -514.569098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.569098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.398763 (E_RNA)
where:
Base-Base interactions energy: -349.047
where: short stacking energy: -133.762
Base-Backbone interact. energy: -1.375
local terms energy: -164.976658
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -39.960
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: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -535.297018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.297018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.997428 (E_RNA)
where:
Base-Base interactions energy: -377.334
where: short stacking energy: -152.844
Base-Backbone interact. energy: -1.026
local terms energy: -157.636649
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -46.122
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -500.754212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.754212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.698364 (E_RNA)
where:
Base-Base interactions energy: -351.650
where: short stacking energy: -129.817
Base-Backbone interact. energy: -0.434
local terms energy: -149.614057
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -34.030
Dist. restrs. and SS energy: 0.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -486.977659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.977659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.485693 (E_RNA)
where:
Base-Base interactions energy: -334.862
where: short stacking energy: -140.432
Base-Backbone interact. energy: -0.739
local terms energy: -151.884181
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -37.823
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: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -452.123810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.123810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.341403 (E_RNA)
where:
Base-Base interactions energy: -309.284
where: short stacking energy: -124.854
Base-Backbone interact. energy: -0.501
local terms energy: -143.556160
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -38.018
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -442.686931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.686931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.195938 (E_RNA)
where:
Base-Base interactions energy: -309.388
where: short stacking energy: -115.112
Base-Backbone interact. energy: -0.205
local terms energy: -133.603454
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -28.219
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -446.881704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.881704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.755318 (E_RNA)
where:
Base-Base interactions energy: -303.437
where: short stacking energy: -114.060
Base-Backbone interact. energy: -0.819
local terms energy: -143.499404
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -416.616586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.616586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.503371 (E_RNA)
where:
Base-Base interactions energy: -293.190
where: short stacking energy: -116.116
Base-Backbone interact. energy: -0.723
local terms energy: -123.590483
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -27.627
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: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -556.363891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.363891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.638818 (E_RNA)
where:
Base-Base interactions energy: -385.189
where: short stacking energy: -162.140
Base-Backbone interact. energy: -2.080
local terms energy: -169.369893
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -47.376
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: 242
Temperature: 0.950000
Total energy: -538.743469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.743469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.589274 (E_RNA)
where:
Base-Base interactions energy: -368.031
where: short stacking energy: -151.875
Base-Backbone interact. energy: 0.492
local terms energy: -172.050521
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -44.647
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: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -527.622946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.622946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.893791 (E_RNA)
where:
Base-Base interactions energy: -358.692
where: short stacking energy: -146.488
Base-Backbone interact. energy: -1.949
local terms energy: -167.252685
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -43.707
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: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -525.417122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.417122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.209973 (E_RNA)
where:
Base-Base interactions energy: -355.284
where: short stacking energy: -142.960
Base-Backbone interact. energy: -0.115
local terms energy: -170.810537
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -43.819
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -522.040536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.040536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.273407 (E_RNA)
where:
Base-Base interactions energy: -352.001
where: short stacking energy: -140.301
Base-Backbone interact. energy: -2.464
local terms energy: -167.807879
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -41.111
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -480.062957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.062957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.264877 (E_RNA)
where:
Base-Base interactions energy: -332.767
where: short stacking energy: -141.878
Base-Backbone interact. energy: -0.777
local terms energy: -146.720513
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -38.732
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -455.266185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.266185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.811450 (E_RNA)
where:
Base-Base interactions energy: -302.628
where: short stacking energy: -121.083
Base-Backbone interact. energy: -0.593
local terms energy: -152.590090
where:
bonds (distance) C4'-P energy: -32.112
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -439.325270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.325270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.851101 (E_RNA)
where:
Base-Base interactions energy: -311.849
where: short stacking energy: -111.073
Base-Backbone interact. energy: -0.727
local terms energy: -127.274736
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -22.442
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -423.828119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.828119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.989531 (E_RNA)
where:
Base-Base interactions energy: -293.033
where: short stacking energy: -107.066
Base-Backbone interact. energy: -0.987
local terms energy: -129.968773
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -29.203
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: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -412.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.247781 (E_RNA)
where:
Base-Base interactions energy: -287.306
where: short stacking energy: -110.258
Base-Backbone interact. energy: -0.404
local terms energy: -125.537798
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -27.738
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: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -549.940980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.940980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.242599 (E_RNA)
where:
Base-Base interactions energy: -375.768
where: short stacking energy: -147.042
Base-Backbone interact. energy: -0.515
local terms energy: -173.959473
where:
bonds (distance) C4'-P energy: -31.747
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -527.807751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.807751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.120741 (E_RNA)
where:
Base-Base interactions energy: -361.690
where: short stacking energy: -149.498
Base-Backbone interact. energy: -1.688
local terms energy: -164.743141
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -41.972
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: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -530.715547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.715547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.372282 (E_RNA)
where:
Base-Base interactions energy: -358.558
where: short stacking energy: -142.841
Base-Backbone interact. energy: -1.758
local terms energy: -172.056645
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -520.266753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.266753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.497814 (E_RNA)
where:
Base-Base interactions energy: -357.294
where: short stacking energy: -133.955
Base-Backbone interact. energy: -0.936
local terms energy: -163.268143
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -521.521395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.521395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.424811 (E_RNA)
where:
Base-Base interactions energy: -361.981
where: short stacking energy: -150.066
Base-Backbone interact. energy: -0.673
local terms energy: -159.770542
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -45.245
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -456.082986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.082986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.481365 (E_RNA)
where:
Base-Base interactions energy: -312.122
where: short stacking energy: -121.871
Base-Backbone interact. energy: -0.950
local terms energy: -143.408814
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -34.344
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: 243
Temperature: 1.200000
Total energy: -470.084214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.084214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.609959 (E_RNA)
where:
Base-Base interactions energy: -331.495
where: short stacking energy: -135.297
Base-Backbone interact. energy: -0.544
local terms energy: -138.570649
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -38.904
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: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -430.371248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.371248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.157757 (E_RNA)
where:
Base-Base interactions energy: -295.230
where: short stacking energy: -106.637
Base-Backbone interact. energy: 0.986
local terms energy: -136.913817
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -24.065
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: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -431.150943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.150943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.087653 (E_RNA)
where:
Base-Base interactions energy: -289.534
where: short stacking energy: -118.307
Base-Backbone interact. energy: -0.128
local terms energy: -142.425582
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -31.070
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: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -426.291407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.291407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.779531 (E_RNA)
where:
Base-Base interactions energy: -282.900
where: short stacking energy: -108.968
Base-Backbone interact. energy: 0.103
local terms energy: -143.982211
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -25.646
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: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -558.096806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.096806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.610417 (E_RNA)
where:
Base-Base interactions energy: -378.372
where: short stacking energy: -154.204
Base-Backbone interact. energy: -0.871
local terms energy: -179.366876
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -49.768
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: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -542.276141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.276141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.815717 (E_RNA)
where:
Base-Base interactions energy: -374.150
where: short stacking energy: -160.361
Base-Backbone interact. energy: -1.467
local terms energy: -167.198483
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -44.550
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -530.873739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.873739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.205904 (E_RNA)
where:
Base-Base interactions energy: -367.992
where: short stacking energy: -157.969
Base-Backbone interact. energy: -0.275
local terms energy: -162.939053
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -39.862
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -46.536
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -511.385589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.385589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.652429 (E_RNA)
where:
Base-Base interactions energy: -362.038
where: short stacking energy: -144.344
Base-Backbone interact. energy: 0.213
local terms energy: -149.827594
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -41.187
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -499.692901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.692901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.069351 (E_RNA)
where:
Base-Base interactions energy: -343.849
where: short stacking energy: -133.997
Base-Backbone interact. energy: -1.244
local terms energy: -154.976706
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -41.732
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: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -480.409590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.409590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.586527 (E_RNA)
where:
Base-Base interactions energy: -327.624
where: short stacking energy: -123.102
Base-Backbone interact. energy: -0.848
local terms energy: -152.115133
where:
bonds (distance) C4'-P energy: -30.017
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -35.608
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -39.323
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: 244
Temperature: 1.200000
Total energy: -478.682338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.682338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.243447 (E_RNA)
where:
Base-Base interactions energy: -337.819
where: short stacking energy: -130.495
Base-Backbone interact. energy: -0.528
local terms energy: -140.896596
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -35.773
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: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -450.368199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.368199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.872536 (E_RNA)
where:
Base-Base interactions energy: -318.458
where: short stacking energy: -120.651
Base-Backbone interact. energy: 1.080
local terms energy: -133.494949
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -29.161
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: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -438.249316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.249316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.353064 (E_RNA)
where:
Base-Base interactions energy: -303.054
where: short stacking energy: -118.177
Base-Backbone interact. energy: -1.169
local terms energy: -134.129533
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -28.354
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -405.652084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.652084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.265503 (E_RNA)
where:
Base-Base interactions energy: -277.712
where: short stacking energy: -101.519
Base-Backbone interact. energy: -0.360
local terms energy: -128.193968
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -26.957
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -554.744521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.744521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.709842 (E_RNA)
where:
Base-Base interactions energy: -377.759
where: short stacking energy: -152.730
Base-Backbone interact. energy: -0.450
local terms energy: -177.500976
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -47.100
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -546.258797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.258797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.056646 (E_RNA)
where:
Base-Base interactions energy: -375.794
where: short stacking energy: -155.822
Base-Backbone interact. energy: -1.958
local terms energy: -169.305253
where:
bonds (distance) C4'-P energy: -27.752
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -48.089
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -530.612580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.612580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.912977 (E_RNA)
where:
Base-Base interactions energy: -367.685
where: short stacking energy: -149.172
Base-Backbone interact. energy: -1.120
local terms energy: -162.108105
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -42.327
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -513.878220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.878220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.318085 (E_RNA)
where:
Base-Base interactions energy: -359.413
where: short stacking energy: -147.843
Base-Backbone interact. energy: 2.758
local terms energy: -157.663243
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -42.130
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: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -506.652402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.652402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.247401 (E_RNA)
where:
Base-Base interactions energy: -356.217
where: short stacking energy: -140.733
Base-Backbone interact. energy: -0.476
local terms energy: -150.554501
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -40.481
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: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -488.361481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.361481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.769795 (E_RNA)
where:
Base-Base interactions energy: -340.823
where: short stacking energy: -145.602
Base-Backbone interact. energy: -0.809
local terms energy: -147.137650
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -40.992
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -456.013429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.013429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.841497 (E_RNA)
where:
Base-Base interactions energy: -317.705
where: short stacking energy: -131.547
Base-Backbone interact. energy: -1.828
local terms energy: -137.308219
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -30.983
Dist. restrs. and SS energy: 0.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -438.153080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.153080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.434928 (E_RNA)
where:
Base-Base interactions energy: -298.813
where: short stacking energy: -114.793
Base-Backbone interact. energy: -0.209
local terms energy: -139.412834
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -29.147
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -30.936
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: 245
Temperature: 1.300000
Total energy: -426.460053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.460053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.321768 (E_RNA)
where:
Base-Base interactions energy: -292.435
where: short stacking energy: -114.959
Base-Backbone interact. energy: -2.268
local terms energy: -132.618630
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -433.442758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.442758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.663162 (E_RNA)
where:
Base-Base interactions energy: -309.830
where: short stacking energy: -123.003
Base-Backbone interact. energy: -0.489
local terms energy: -123.344301
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -32.735
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -554.879674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.879674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.863673 (E_RNA)
where:
Base-Base interactions energy: -377.392
where: short stacking energy: -150.559
Base-Backbone interact. energy: -1.488
local terms energy: -176.983463
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -44.437
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -541.299286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.299286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.300895 (E_RNA)
where:
Base-Base interactions energy: -379.514
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.762
local terms energy: -162.024726
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -38.479
Dist. restrs. and SS energy: 1.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -501.103909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.103909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.555768 (E_RNA)
where:
Base-Base interactions energy: -356.177
where: short stacking energy: -144.129
Base-Backbone interact. energy: -0.615
local terms energy: -144.763806
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -35.414
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -505.647998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.647998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.904145 (E_RNA)
where:
Base-Base interactions energy: -345.177
where: short stacking energy: -134.615
Base-Backbone interact. energy: 0.018
local terms energy: -160.744825
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -505.963353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.963353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.704370 (E_RNA)
where:
Base-Base interactions energy: -359.391
where: short stacking energy: -148.281
Base-Backbone interact. energy: 0.485
local terms energy: -147.798372
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -39.883
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -489.956877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.956877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.093563 (E_RNA)
where:
Base-Base interactions energy: -340.579
where: short stacking energy: -142.869
Base-Backbone interact. energy: 2.468
local terms energy: -151.982696
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -40.613
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -462.242069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.242069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.559074 (E_RNA)
where:
Base-Base interactions energy: -313.669
where: short stacking energy: -119.511
Base-Backbone interact. energy: -0.832
local terms energy: -148.057834
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -35.239
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: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -426.263310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.263310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.473769 (E_RNA)
where:
Base-Base interactions energy: -293.618
where: short stacking energy: -105.421
Base-Backbone interact. energy: -1.263
local terms energy: -131.592075
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -22.928
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -422.246653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.246653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.542752 (E_RNA)
where:
Base-Base interactions energy: -308.696
where: short stacking energy: -111.627
Base-Backbone interact. energy: -0.049
local terms energy: -113.797830
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -438.957940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.957940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.205826 (E_RNA)
where:
Base-Base interactions energy: -307.391
where: short stacking energy: -116.092
Base-Backbone interact. energy: -0.827
local terms energy: -130.987473
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -32.129
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: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -560.907293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.907293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.506502 (E_RNA)
where:
Base-Base interactions energy: -381.692
where: short stacking energy: -166.358
Base-Backbone interact. energy: -1.163
local terms energy: -178.651581
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -48.607
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: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -525.719332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.244919 (E_RNA)
where:
Base-Base interactions energy: -358.712
where: short stacking energy: -146.577
Base-Backbone interact. energy: -1.878
local terms energy: -165.655219
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: -41.696
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: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -521.928517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.928517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.669008 (E_RNA)
where:
Base-Base interactions energy: -345.789
where: short stacking energy: -139.815
Base-Backbone interact. energy: -1.879
local terms energy: -175.001601
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -43.163
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -513.941632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.941632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.480795 (E_RNA)
where:
Base-Base interactions energy: -341.853
where: short stacking energy: -144.417
Base-Backbone interact. energy: 0.140
local terms energy: -172.767391
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: -44.691
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -497.842086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.842086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.580651 (E_RNA)
where:
Base-Base interactions energy: -332.127
where: short stacking energy: -128.187
Base-Backbone interact. energy: 0.075
local terms energy: -166.529031
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -37.344
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -490.025677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.025677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.377532 (E_RNA)
where:
Base-Base interactions energy: -331.612
where: short stacking energy: -139.086
Base-Backbone interact. energy: -0.314
local terms energy: -158.451537
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -32.681
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -464.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.367351 (E_RNA)
where:
Base-Base interactions energy: -326.380
where: short stacking energy: -131.906
Base-Backbone interact. energy: 0.549
local terms energy: -138.537045
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -36.257
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: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -432.404312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.404312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.781632 (E_RNA)
where:
Base-Base interactions energy: -306.595
where: short stacking energy: -113.836
Base-Backbone interact. energy: 2.037
local terms energy: -128.223764
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -31.083
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -436.294624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.294624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.410786 (E_RNA)
where:
Base-Base interactions energy: -309.439
where: short stacking energy: -118.925
Base-Backbone interact. energy: -1.081
local terms energy: -125.890743
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -33.105
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -24.016
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -420.210975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.210975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.570703 (E_RNA)
where:
Base-Base interactions energy: -289.096
where: short stacking energy: -113.497
Base-Backbone interact. energy: 0.798
local terms energy: -132.272652
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -25.483
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -563.192780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.192780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.688422 (E_RNA)
where:
Base-Base interactions energy: -390.024
where: short stacking energy: -161.966
Base-Backbone interact. energy: -0.435
local terms energy: -173.229439
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -45.928
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: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -539.698341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.698341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.828053 (E_RNA)
where:
Base-Base interactions energy: -369.909
where: short stacking energy: -146.466
Base-Backbone interact. energy: -1.207
local terms energy: -168.712224
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -43.944
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: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -520.782431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.782431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.998825 (E_RNA)
where:
Base-Base interactions energy: -364.499
where: short stacking energy: -145.626
Base-Backbone interact. energy: -1.716
local terms energy: -154.783058
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -37.118
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -517.634889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.634889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.292235 (E_RNA)
where:
Base-Base interactions energy: -353.959
where: short stacking energy: -134.811
Base-Backbone interact. energy: -0.296
local terms energy: -164.037252
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -39.412
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -498.905688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.905688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.308861 (E_RNA)
where:
Base-Base interactions energy: -338.874
where: short stacking energy: -134.132
Base-Backbone interact. energy: -0.814
local terms energy: -159.620786
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -37.583
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -41.538
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: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -482.738202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.738202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.329482 (E_RNA)
where:
Base-Base interactions energy: -341.445
where: short stacking energy: -135.507
Base-Backbone interact. energy: -0.436
local terms energy: -141.448514
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -36.139
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: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -459.735482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.735482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.724288 (E_RNA)
where:
Base-Base interactions energy: -321.387
where: short stacking energy: -119.435
Base-Backbone interact. energy: -0.587
local terms energy: -140.749435
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -34.814
Dist. restrs. and SS energy: 2.989 (S_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: 248
Temperature: 1.250000
Total energy: -456.932868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.932868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.435723 (E_RNA)
where:
Base-Base interactions energy: -310.620
where: short stacking energy: -124.816
Base-Backbone interact. energy: -0.712
local terms energy: -146.103711
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -34.402
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -418.291261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.291261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.845160 (E_RNA)
where:
Base-Base interactions energy: -286.732
where: short stacking energy: -98.215
Base-Backbone interact. energy: -1.134
local terms energy: -130.979292
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -413.128709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.128709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.687675 (E_RNA)
where:
Base-Base interactions energy: -275.882
where: short stacking energy: -108.904
Base-Backbone interact. energy: 0.858
local terms energy: -139.664445
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -30.380
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -556.769658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.769658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.417386 (E_RNA)
where:
Base-Base interactions energy: -390.093
where: short stacking energy: -154.010
Base-Backbone interact. energy: 0.855
local terms energy: -168.178995
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -41.941
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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -536.318460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.318460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.557200 (E_RNA)
where:
Base-Base interactions energy: -372.477
where: short stacking energy: -147.966
Base-Backbone interact. energy: -0.961
local terms energy: -163.119109
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -44.422
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -530.617934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.617934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.074016 (E_RNA)
where:
Base-Base interactions energy: -369.939
where: short stacking energy: -148.030
Base-Backbone interact. energy: -0.637
local terms energy: -160.497752
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -30.604
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -43.292
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -518.888700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.888700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.792915 (E_RNA)
where:
Base-Base interactions energy: -348.779
where: short stacking energy: -149.280
Base-Backbone interact. energy: -1.655
local terms energy: -170.358663
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -37.483
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -44.158
Dist. restrs. and SS energy: 1.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -509.412546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.412546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.250920 (E_RNA)
where:
Base-Base interactions energy: -353.914
where: short stacking energy: -123.537
Base-Backbone interact. energy: 0.472
local terms energy: -156.809484
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -32.273
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: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -462.156143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.156143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.588145 (E_RNA)
where:
Base-Base interactions energy: -318.738
where: short stacking energy: -110.594
Base-Backbone interact. energy: 3.389
local terms energy: -147.239479
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -27.938
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: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -478.175167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.175167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.450751 (E_RNA)
where:
Base-Base interactions energy: -343.287
where: short stacking energy: -134.848
Base-Backbone interact. energy: -1.497
local terms energy: -133.666499
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -34.203
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: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -447.751494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.751494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.408146 (E_RNA)
where:
Base-Base interactions energy: -302.834
where: short stacking energy: -108.142
Base-Backbone interact. energy: -0.817
local terms energy: -144.757954
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -33.112
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -452.512188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.512188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.040004 (E_RNA)
where:
Base-Base interactions energy: -311.782
where: short stacking energy: -116.285
Base-Backbone interact. energy: -1.052
local terms energy: -140.206270
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -35.499
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: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -406.686528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.686528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.415752 (E_RNA)
where:
Base-Base interactions energy: -288.013
where: short stacking energy: -112.209
Base-Backbone interact. energy: -0.826
local terms energy: -122.577085
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 4.729 (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: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -552.209299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.209299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.090289 (E_RNA)
where:
Base-Base interactions energy: -388.470
where: short stacking energy: -162.708
Base-Backbone interact. energy: 2.061
local terms energy: -166.681436
where:
bonds (distance) C4'-P energy: -27.683
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -537.934226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.934226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.106183 (E_RNA)
where:
Base-Base interactions energy: -371.873
where: short stacking energy: -154.707
Base-Backbone interact. energy: 0.050
local terms energy: -166.283087
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -43.434
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -533.243240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.243240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.035354 (E_RNA)
where:
Base-Base interactions energy: -374.278
where: short stacking energy: -141.920
Base-Backbone interact. energy: 0.017
local terms energy: -159.774596
where:
bonds (distance) C4'-P energy: -35.465
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -44.544
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -502.969246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.969246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.146334 (E_RNA)
where:
Base-Base interactions energy: -353.784
where: short stacking energy: -150.195
Base-Backbone interact. energy: -0.735
local terms energy: -148.627861
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -37.542
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: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -503.885907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.885907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.819031 (E_RNA)
where:
Base-Base interactions energy: -349.657
where: short stacking energy: -133.142
Base-Backbone interact. energy: -0.808
local terms energy: -154.353595
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -39.825
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -33.152
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: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -457.582663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.582663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.112289 (E_RNA)
where:
Base-Base interactions energy: -313.868
where: short stacking energy: -116.980
Base-Backbone interact. energy: -1.341
local terms energy: -142.903103
where:
bonds (distance) C4'-P energy: -28.745
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -28.442
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: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -480.764758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.764758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.579212 (E_RNA)
where:
Base-Base interactions energy: -344.095
where: short stacking energy: -137.471
Base-Backbone interact. energy: -0.526
local terms energy: -136.958930
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -36.590
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: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -434.538717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.538717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.716764 (E_RNA)
where:
Base-Base interactions energy: -314.250
where: short stacking energy: -113.317
Base-Backbone interact. energy: -1.105
local terms energy: -119.361877
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -24.748
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: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -411.298024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.298024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.272672 (E_RNA)
where:
Base-Base interactions energy: -292.616
where: short stacking energy: -100.087
Base-Backbone interact. energy: 0.160
local terms energy: -122.817043
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -430.443683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.443683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.829968 (E_RNA)
where:
Base-Base interactions energy: -305.033
where: short stacking energy: -116.802
Base-Backbone interact. energy: 0.052
local terms energy: -125.849160
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -28.196
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: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -570.924915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.924915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.729232 (E_RNA)
where:
Base-Base interactions energy: -390.783
where: short stacking energy: -153.802
Base-Backbone interact. energy: -0.413
local terms energy: -180.533160
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -45.442
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -536.518752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.518752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.826858 (E_RNA)
where:
Base-Base interactions energy: -367.677
where: short stacking energy: -151.452
Base-Backbone interact. energy: -0.633
local terms energy: -168.516640
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -46.653
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -522.992126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.992126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.301859 (E_RNA)
where:
Base-Base interactions energy: -370.818
where: short stacking energy: -154.477
Base-Backbone interact. energy: 0.593
local terms energy: -153.077016
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -41.185
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -525.113460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.113460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.474784 (E_RNA)
where:
Base-Base interactions energy: -359.263
where: short stacking energy: -146.690
Base-Backbone interact. energy: -1.722
local terms energy: -164.489193
where:
bonds (distance) C4'-P energy: -31.814
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -36.441
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -44.674
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: 251
Temperature: 1.100000
Total energy: -495.350814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.350814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.047513 (E_RNA)
where:
Base-Base interactions energy: -336.710
where: short stacking energy: -127.976
Base-Backbone interact. energy: -1.170
local terms energy: -158.167731
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -32.844
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -38.128
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: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -484.277023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.277023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.997066 (E_RNA)
where:
Base-Base interactions energy: -333.468
where: short stacking energy: -137.610
Base-Backbone interact. energy: -1.183
local terms energy: -150.345523
where:
bonds (distance) C4'-P energy: -31.569
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -39.878
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: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -453.435733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.435733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.743314 (E_RNA)
where:
Base-Base interactions energy: -304.743
where: short stacking energy: -109.145
Base-Backbone interact. energy: 0.574
local terms energy: -149.573824
where:
bonds (distance) C4'-P energy: -26.293
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -30.711
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -421.159249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.159249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.428424 (E_RNA)
where:
Base-Base interactions energy: -301.579
where: short stacking energy: -122.091
Base-Backbone interact. energy: -0.195
local terms energy: -123.654088
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 4.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -425.578137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.578137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.005000 (E_RNA)
where:
Base-Base interactions energy: -298.409
where: short stacking energy: -107.341
Base-Backbone interact. energy: -0.393
local terms energy: -127.202896
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -21.083
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: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -424.001308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.001308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.548611 (E_RNA)
where:
Base-Base interactions energy: -307.718
where: short stacking energy: -117.769
Base-Backbone interact. energy: 0.902
local terms energy: -117.733410
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -23.996
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: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -550.553242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.553242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.985332 (E_RNA)
where:
Base-Base interactions energy: -376.519
where: short stacking energy: -157.192
Base-Backbone interact. energy: -0.183
local terms energy: -174.282628
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -38.263
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -44.102
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: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -536.444111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.444111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.068042 (E_RNA)
where:
Base-Base interactions energy: -360.228
where: short stacking energy: -152.092
Base-Backbone interact. energy: -0.609
local terms energy: -176.231532
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -46.622
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -526.944594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.944594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.352738 (E_RNA)
where:
Base-Base interactions energy: -358.048
where: short stacking energy: -151.848
Base-Backbone interact. energy: -0.771
local terms energy: -168.533387
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -36.958
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -44.994
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: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -527.730136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.730136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.289276 (E_RNA)
where:
Base-Base interactions energy: -376.009
where: short stacking energy: -147.533
Base-Backbone interact. energy: -0.460
local terms energy: -151.820977
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -41.225
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -508.049932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.049932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.534541 (E_RNA)
where:
Base-Base interactions energy: -350.392
where: short stacking energy: -141.870
Base-Backbone interact. energy: -0.482
local terms energy: -157.661237
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -41.943
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: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -484.869648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.869648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.267311 (E_RNA)
where:
Base-Base interactions energy: -339.500
where: short stacking energy: -127.591
Base-Backbone interact. energy: -1.484
local terms energy: -144.283347
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -35.713
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -448.521671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.521671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.118736 (E_RNA)
where:
Base-Base interactions energy: -320.700
where: short stacking energy: -121.819
Base-Backbone interact. energy: -0.822
local terms energy: -127.597119
where:
bonds (distance) C4'-P energy: -28.331
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -23.473
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: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -423.793083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.793083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.491838 (E_RNA)
where:
Base-Base interactions energy: -290.031
where: short stacking energy: -112.093
Base-Backbone interact. energy: -1.035
local terms energy: -136.425439
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -26.654
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -461.934825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.934825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.476120 (E_RNA)
where:
Base-Base interactions energy: -322.582
where: short stacking energy: -131.715
Base-Backbone interact. energy: 0.253
local terms energy: -140.147527
where:
bonds (distance) C4'-P energy: -31.850
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -28.134
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -420.993885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.993885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.395102 (E_RNA)
where:
Base-Base interactions energy: -298.693
where: short stacking energy: -121.136
Base-Backbone interact. energy: -0.029
local terms energy: -122.673015
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -24.285
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: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -555.692083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.692083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.267195 (E_RNA)
where:
Base-Base interactions energy: -390.920
where: short stacking energy: -163.640
Base-Backbone interact. energy: -1.502
local terms energy: -163.844750
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -43.477
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: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -539.671239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.671239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.408574 (E_RNA)
where:
Base-Base interactions energy: -373.221
where: short stacking energy: -153.377
Base-Backbone interact. energy: -0.424
local terms energy: -166.764335
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -44.492
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: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -537.589772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.589772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.702537 (E_RNA)
where:
Base-Base interactions energy: -377.937
where: short stacking energy: -158.999
Base-Backbone interact. energy: 1.509
local terms energy: -161.274830
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -46.240
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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -521.870416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.870416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.557764 (E_RNA)
where:
Base-Base interactions energy: -351.155
where: short stacking energy: -155.067
Base-Backbone interact. energy: -0.588
local terms energy: -170.815663
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -45.170
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: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -501.984846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.984846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.852015 (E_RNA)
where:
Base-Base interactions energy: -339.095
where: short stacking energy: -135.087
Base-Backbone interact. energy: -0.299
local terms energy: -163.458061
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -39.815
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -469.083822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.083822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.362075 (E_RNA)
where:
Base-Base interactions energy: -331.526
where: short stacking energy: -131.478
Base-Backbone interact. energy: -2.107
local terms energy: -136.729220
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -467.001390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.001390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.700162 (E_RNA)
where:
Base-Base interactions energy: -328.799
where: short stacking energy: -122.298
Base-Backbone interact. energy: -0.709
local terms energy: -138.192417
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -39.179
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -467.421705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.421705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.105135 (E_RNA)
where:
Base-Base interactions energy: -327.592
where: short stacking energy: -126.405
Base-Backbone interact. energy: -1.596
local terms energy: -138.917137
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -39.881
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: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -428.998835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.998835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.129736 (E_RNA)
where:
Base-Base interactions energy: -297.994
where: short stacking energy: -121.137
Base-Backbone interact. energy: -1.123
local terms energy: -135.012568
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 5.131 (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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -417.573352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.573352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.241576 (E_RNA)
where:
Base-Base interactions energy: -298.010
where: short stacking energy: -118.192
Base-Backbone interact. energy: -0.844
local terms energy: -119.387492
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -29.811
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -29.225
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: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -544.464174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.464174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.601841 (E_RNA)
where:
Base-Base interactions energy: -370.548
where: short stacking energy: -156.561
Base-Backbone interact. energy: -0.818
local terms energy: -173.236299
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -45.845
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -561.284502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.284502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.109611 (E_RNA)
where:
Base-Base interactions energy: -391.814
where: short stacking energy: -154.295
Base-Backbone interact. energy: -0.837
local terms energy: -169.458879
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -38.842
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -535.378823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.378823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.579606 (E_RNA)
where:
Base-Base interactions energy: -370.723
where: short stacking energy: -150.988
Base-Backbone interact. energy: -0.480
local terms energy: -164.376467
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -43.057
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: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -528.059592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.059592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.672893 (E_RNA)
where:
Base-Base interactions energy: -355.750
where: short stacking energy: -154.945
Base-Backbone interact. energy: -0.229
local terms energy: -172.693258
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -46.962
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: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -494.028737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.028737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.926728 (E_RNA)
where:
Base-Base interactions energy: -348.622
where: short stacking energy: -145.239
Base-Backbone interact. energy: -0.576
local terms energy: -145.728704
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -35.547
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: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -499.776005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.776005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.215166 (E_RNA)
where:
Base-Base interactions energy: -344.148
where: short stacking energy: -135.397
Base-Backbone interact. energy: -0.274
local terms energy: -155.793436
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -39.171
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -471.211281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.211281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.678130 (E_RNA)
where:
Base-Base interactions energy: -325.855
where: short stacking energy: -134.787
Base-Backbone interact. energy: -0.271
local terms energy: -145.552736
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -35.589
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -38.354
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: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -459.439578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.439578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.478112 (E_RNA)
where:
Base-Base interactions energy: -300.174
where: short stacking energy: -118.583
Base-Backbone interact. energy: -1.278
local terms energy: -159.026631
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 1.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -454.852040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.852040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.209206 (E_RNA)
where:
Base-Base interactions energy: -306.163
where: short stacking energy: -129.081
Base-Backbone interact. energy: -0.952
local terms energy: -148.094233
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -35.469
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: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -394.218215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.218215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.444838 (E_RNA)
where:
Base-Base interactions energy: -275.419
where: short stacking energy: -102.076
Base-Backbone interact. energy: 0.351
local terms energy: -119.376420
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -26.929
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: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -555.409963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.409963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.563011 (E_RNA)
where:
Base-Base interactions energy: -379.391
where: short stacking energy: -161.199
Base-Backbone interact. energy: -0.217
local terms energy: -175.955324
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -40.462
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -538.054742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.054742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.654277 (E_RNA)
where:
Base-Base interactions energy: -369.834
where: short stacking energy: -151.978
Base-Backbone interact. energy: -2.140
local terms energy: -166.680256
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -44.197
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: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -531.124107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.124107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.490332 (E_RNA)
where:
Base-Base interactions energy: -363.886
where: short stacking energy: -141.307
Base-Backbone interact. energy: -0.012
local terms energy: -167.592228
where:
bonds (distance) C4'-P energy: -35.066
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -39.574
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -519.443583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.443583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.946780 (E_RNA)
where:
Base-Base interactions energy: -351.243
where: short stacking energy: -135.217
Base-Backbone interact. energy: -2.595
local terms energy: -166.109027
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -44.973
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: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -486.428951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.428951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.674472 (E_RNA)
where:
Base-Base interactions energy: -339.683
where: short stacking energy: -147.397
Base-Backbone interact. energy: -0.317
local terms energy: -146.674977
where:
bonds (distance) C4'-P energy: -37.539
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -33.293
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: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -477.807631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.807631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.943200 (E_RNA)
where:
Base-Base interactions energy: -334.359
where: short stacking energy: -133.387
Base-Backbone interact. energy: -1.771
local terms energy: -141.812965
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -38.862
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: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -464.569068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.569068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.385879 (E_RNA)
where:
Base-Base interactions energy: -326.714
where: short stacking energy: -132.035
Base-Backbone interact. energy: -1.434
local terms energy: -137.238430
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -32.231
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: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -465.767430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.767430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.947922 (E_RNA)
where:
Base-Base interactions energy: -317.569
where: short stacking energy: -125.889
Base-Backbone interact. energy: -1.551
local terms energy: -146.828607
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -30.633
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: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -466.347943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.347943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.827585 (E_RNA)
where:
Base-Base interactions energy: -324.167
where: short stacking energy: -127.024
Base-Backbone interact. energy: -0.630
local terms energy: -142.030281
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -33.070
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: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -413.337879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.337879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.624663 (E_RNA)
where:
Base-Base interactions energy: -296.083
where: short stacking energy: -114.571
Base-Backbone interact. energy: 3.536
local terms energy: -121.077874
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: -24.683
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -549.015247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.015247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.643913 (E_RNA)
where:
Base-Base interactions energy: -367.179
where: short stacking energy: -156.752
Base-Backbone interact. energy: -1.641
local terms energy: -180.824373
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -46.008
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -527.104513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.104513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.863802 (E_RNA)
where:
Base-Base interactions energy: -363.071
where: short stacking energy: -141.637
Base-Backbone interact. energy: 0.052
local terms energy: -164.844239
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -30.468
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -41.084
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -530.329305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.329305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.787919 (E_RNA)
where:
Base-Base interactions energy: -364.196
where: short stacking energy: -148.906
Base-Backbone interact. energy: -0.767
local terms energy: -165.824669
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -37.845
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -516.879223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.879223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.857482 (E_RNA)
where:
Base-Base interactions energy: -353.467
where: short stacking energy: -146.940
Base-Backbone interact. energy: -0.476
local terms energy: -163.914450
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -478.571829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.571829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.877839 (E_RNA)
where:
Base-Base interactions energy: -322.292
where: short stacking energy: -130.686
Base-Backbone interact. energy: -0.914
local terms energy: -156.671886
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -33.023
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -488.891959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.891959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.122954 (E_RNA)
where:
Base-Base interactions energy: -340.295
where: short stacking energy: -132.242
Base-Backbone interact. energy: 8.018
local terms energy: -156.846045
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -30.141
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -43.042
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: 256
Temperature: 1.200000
Total energy: -475.279289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.279289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.421237 (E_RNA)
where:
Base-Base interactions energy: -324.890
where: short stacking energy: -133.250
Base-Backbone interact. energy: -0.778
local terms energy: -149.753047
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -39.685
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: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -445.570977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.528905 (E_RNA)
where:
Base-Base interactions energy: -318.814
where: short stacking energy: -120.204
Base-Backbone interact. energy: -0.784
local terms energy: -126.931842
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -34.669
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -434.801684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.801684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.337490 (E_RNA)
where:
Base-Base interactions energy: -298.857
where: short stacking energy: -120.661
Base-Backbone interact. energy: -1.077
local terms energy: -135.403213
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -30.117
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: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -410.794751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.794751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.288269 (E_RNA)
where:
Base-Base interactions energy: -278.547
where: short stacking energy: -107.752
Base-Backbone interact. energy: -0.597
local terms energy: -132.144020
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -31.771
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -28.265
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -549.169126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.169126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.680663 (E_RNA)
where:
Base-Base interactions energy: -382.777
where: short stacking energy: -157.090
Base-Backbone interact. energy: -1.678
local terms energy: -165.225370
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -44.477
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: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -542.676774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.676774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.923907 (E_RNA)
where:
Base-Base interactions energy: -374.550
where: short stacking energy: -153.103
Base-Backbone interact. energy: 0.131
local terms energy: -168.505110
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -41.287
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: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -526.414839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.414839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.160030 (E_RNA)
where:
Base-Base interactions energy: -356.844
where: short stacking energy: -148.215
Base-Backbone interact. energy: -0.318
local terms energy: -170.998867
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -46.504
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -517.644727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.644727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.826921 (E_RNA)
where:
Base-Base interactions energy: -354.375
where: short stacking energy: -158.830
Base-Backbone interact. energy: -1.188
local terms energy: -162.264065
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -39.832
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -43.493
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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -482.829231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.829231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.693095 (E_RNA)
where:
Base-Base interactions energy: -330.096
where: short stacking energy: -130.311
Base-Backbone interact. energy: 1.764
local terms energy: -155.361251
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -35.887
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: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -477.462204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.462204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.885433 (E_RNA)
where:
Base-Base interactions energy: -321.940
where: short stacking energy: -127.346
Base-Backbone interact. energy: -0.909
local terms energy: -155.036804
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -30.854
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: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -464.385999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.385999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.783778 (E_RNA)
where:
Base-Base interactions energy: -339.788
where: short stacking energy: -131.241
Base-Backbone interact. energy: 4.890
local terms energy: -129.885003
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -33.720
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: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -441.180385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.180385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.173491 (E_RNA)
where:
Base-Base interactions energy: -303.005
where: short stacking energy: -105.481
Base-Backbone interact. energy: 0.128
local terms energy: -140.295943
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -30.828
Dist. restrs. and SS energy: 1.993 (S_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: 257
Temperature: 1.300000
Total energy: -424.800418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.800418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.060800 (E_RNA)
where:
Base-Base interactions energy: -305.225
where: short stacking energy: -117.137
Base-Backbone interact. energy: -0.201
local terms energy: -119.634006
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -26.633
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: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -422.778500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.778500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.418673 (E_RNA)
where:
Base-Base interactions energy: -285.186
where: short stacking energy: -112.019
Base-Backbone interact. energy: 1.631
local terms energy: -139.864323
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -28.584
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: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -546.072889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.072889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.163976 (E_RNA)
where:
Base-Base interactions energy: -373.944
where: short stacking energy: -158.838
Base-Backbone interact. energy: -0.453
local terms energy: -172.767025
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -547.230065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.230065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.508300 (E_RNA)
where:
Base-Base interactions energy: -374.991
where: short stacking energy: -151.349
Base-Backbone interact. energy: 2.044
local terms energy: -174.561419
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -46.384
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: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -537.386198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.386198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.862267 (E_RNA)
where:
Base-Base interactions energy: -373.321
where: short stacking energy: -145.180
Base-Backbone interact. energy: -0.401
local terms energy: -165.140616
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -37.128
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -506.362047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.362047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.828264 (E_RNA)
where:
Base-Base interactions energy: -349.528
where: short stacking energy: -146.420
Base-Backbone interact. energy: -2.142
local terms energy: -155.158593
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -40.322
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: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -492.639055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.639055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.950441 (E_RNA)
where:
Base-Base interactions energy: -337.992
where: short stacking energy: -138.470
Base-Backbone interact. energy: -0.515
local terms energy: -154.443551
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -38.819
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: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -497.553983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.553983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.834213 (E_RNA)
where:
Base-Base interactions energy: -344.834
where: short stacking energy: -143.243
Base-Backbone interact. energy: -0.357
local terms energy: -152.642888
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -39.377
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -479.028685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.028685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.731860 (E_RNA)
where:
Base-Base interactions energy: -335.790
where: short stacking energy: -130.864
Base-Backbone interact. energy: 0.149
local terms energy: -144.090860
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -37.882
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: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -449.625995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.625995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.294061 (E_RNA)
where:
Base-Base interactions energy: -304.402
where: short stacking energy: -127.018
Base-Backbone interact. energy: -1.228
local terms energy: -144.664043
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -25.733
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: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -422.004152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.004152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.561437 (E_RNA)
where:
Base-Base interactions energy: -283.887
where: short stacking energy: -118.309
Base-Backbone interact. energy: -0.094
local terms energy: -138.580359
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -28.126
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: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -424.326245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.326245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.733154 (E_RNA)
where:
Base-Base interactions energy: -288.627
where: short stacking energy: -105.497
Base-Backbone interact. energy: 1.489
local terms energy: -137.594472
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -31.109
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: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -555.970130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.970130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.710376 (E_RNA)
where:
Base-Base interactions energy: -381.523
where: short stacking energy: -158.397
Base-Backbone interact. energy: -0.764
local terms energy: -174.423885
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -42.359
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -536.454931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.454931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.905547 (E_RNA)
where:
Base-Base interactions energy: -365.761
where: short stacking energy: -141.491
Base-Backbone interact. energy: 0.342
local terms energy: -171.486712
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -514.055104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.055104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.637830 (E_RNA)
where:
Base-Base interactions energy: -354.277
where: short stacking energy: -147.438
Base-Backbone interact. energy: -0.730
local terms energy: -159.630873
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -39.208
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -491.610675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.610675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.050878 (E_RNA)
where:
Base-Base interactions energy: -331.177
where: short stacking energy: -118.182
Base-Backbone interact. energy: -1.660
local terms energy: -159.213145
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -39.524
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: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -494.007282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.007282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.187943 (E_RNA)
where:
Base-Base interactions energy: -340.232
where: short stacking energy: -131.852
Base-Backbone interact. energy: -0.412
local terms energy: -153.544001
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -38.911
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -484.848195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.848195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.921369 (E_RNA)
where:
Base-Base interactions energy: -339.349
where: short stacking energy: -128.110
Base-Backbone interact. energy: -0.694
local terms energy: -144.879085
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.851
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -473.883962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.883962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.295693 (E_RNA)
where:
Base-Base interactions energy: -321.974
where: short stacking energy: -122.518
Base-Backbone interact. energy: -0.255
local terms energy: -152.066867
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -33.272
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -430.093466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.093466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.641427 (E_RNA)
where:
Base-Base interactions energy: -302.693
where: short stacking energy: -118.860
Base-Backbone interact. energy: -1.124
local terms energy: -126.824376
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -434.531018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.531018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.957600 (E_RNA)
where:
Base-Base interactions energy: -292.705
where: short stacking energy: -111.334
Base-Backbone interact. energy: -0.373
local terms energy: -141.880179
where:
bonds (distance) C4'-P energy: -29.175
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -35.437
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: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -437.746840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.746840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.270031 (E_RNA)
where:
Base-Base interactions energy: -300.728
where: short stacking energy: -113.199
Base-Backbone interact. energy: -0.759
local terms energy: -136.783190
where:
bonds (distance) C4'-P energy: -28.982
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -31.946
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: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -549.932141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.932141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.602762 (E_RNA)
where:
Base-Base interactions energy: -378.642
where: short stacking energy: -148.723
Base-Backbone interact. energy: -0.314
local terms energy: -171.646415
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -41.215
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -42.279
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -543.959551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.959551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.650793 (E_RNA)
where:
Base-Base interactions energy: -375.446
where: short stacking energy: -150.238
Base-Backbone interact. energy: -0.808
local terms energy: -168.396777
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -38.415
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -505.388721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.388721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.600546 (E_RNA)
where:
Base-Base interactions energy: -341.329
where: short stacking energy: -136.715
Base-Backbone interact. energy: -1.286
local terms energy: -162.985762
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -529.989538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.989538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.431244 (E_RNA)
where:
Base-Base interactions energy: -375.462
where: short stacking energy: -156.367
Base-Backbone interact. energy: -0.636
local terms energy: -154.333371
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -27.530
tors. eta vs tors. theta energy: -42.731
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: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -502.851546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.851546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.445988 (E_RNA)
where:
Base-Base interactions energy: -345.163
where: short stacking energy: -132.152
Base-Backbone interact. energy: -1.266
local terms energy: -157.017354
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -44.773
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: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -492.275938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.275938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.848285 (E_RNA)
where:
Base-Base interactions energy: -332.883
where: short stacking energy: -130.346
Base-Backbone interact. energy: 1.468
local terms energy: -161.432572
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -39.926
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: 260
Temperature: 1.200000
Total energy: -478.959384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.480693 (E_RNA)
where:
Base-Base interactions energy: -337.781
where: short stacking energy: -134.260
Base-Backbone interact. energy: -0.715
local terms energy: -140.984418
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -27.293
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -43.976
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -430.346416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.346416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.581018 (E_RNA)
where:
Base-Base interactions energy: -294.688
where: short stacking energy: -112.239
Base-Backbone interact. energy: -1.989
local terms energy: -133.903293
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -30.185
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: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -448.858094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.858094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.408650 (E_RNA)
where:
Base-Base interactions energy: -320.876
where: short stacking energy: -126.770
Base-Backbone interact. energy: 1.682
local terms energy: -130.215471
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -36.906
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: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -402.261623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.261623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.623771 (E_RNA)
where:
Base-Base interactions energy: -281.708
where: short stacking energy: -99.917
Base-Backbone interact. energy: -0.433
local terms energy: -120.483123
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -23.629
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: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -547.364337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.364337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.892733 (E_RNA)
where:
Base-Base interactions energy: -373.255
where: short stacking energy: -154.354
Base-Backbone interact. energy: -0.489
local terms energy: -174.148059
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -42.605
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -548.322306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.322306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.888805 (E_RNA)
where:
Base-Base interactions energy: -378.966
where: short stacking energy: -156.759
Base-Backbone interact. energy: -0.736
local terms energy: -169.186926
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -507.624532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.624532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.023866 (E_RNA)
where:
Base-Base interactions energy: -356.732
where: short stacking energy: -150.487
Base-Backbone interact. energy: 1.397
local terms energy: -152.689178
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -43.124
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: 261
Temperature: 1.050000
Total energy: -519.677008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.677008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.302877 (E_RNA)
where:
Base-Base interactions energy: -355.539
where: short stacking energy: -137.020
Base-Backbone interact. energy: -1.701
local terms energy: -163.062750
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -44.259
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: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -495.231232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.231232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.555846 (E_RNA)
where:
Base-Base interactions energy: -347.056
where: short stacking energy: -134.565
Base-Backbone interact. energy: 0.957
local terms energy: -149.456467
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -34.600
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -481.732818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.732818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.194962 (E_RNA)
where:
Base-Base interactions energy: -338.101
where: short stacking energy: -142.834
Base-Backbone interact. energy: -0.607
local terms energy: -143.487767
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -38.986
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: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -474.628017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.628017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.342489 (E_RNA)
where:
Base-Base interactions energy: -333.733
where: short stacking energy: -131.940
Base-Backbone interact. energy: 0.892
local terms energy: -142.501390
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -35.698
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: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -444.446906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.446906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.640051 (E_RNA)
where:
Base-Base interactions energy: -308.046
where: short stacking energy: -122.410
Base-Backbone interact. energy: -1.215
local terms energy: -135.378753
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -33.813
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: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -420.140817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.140817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.499150 (E_RNA)
where:
Base-Base interactions energy: -293.393
where: short stacking energy: -117.405
Base-Backbone interact. energy: -0.289
local terms energy: -126.816644
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -28.171
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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -428.067815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.067815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.712374 (E_RNA)
where:
Base-Base interactions energy: -295.104
where: short stacking energy: -118.578
Base-Backbone interact. energy: -0.142
local terms energy: -133.466691
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -546.904365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.904365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.185503 (E_RNA)
where:
Base-Base interactions energy: -371.376
where: short stacking energy: -154.794
Base-Backbone interact. energy: -0.542
local terms energy: -175.267810
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -44.923
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: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -534.735418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.735418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.147213 (E_RNA)
where:
Base-Base interactions energy: -367.225
where: short stacking energy: -139.559
Base-Backbone interact. energy: -0.914
local terms energy: -168.008019
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -32.856
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -46.109
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -541.090883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.090883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.511885 (E_RNA)
where:
Base-Base interactions energy: -379.095
where: short stacking energy: -155.824
Base-Backbone interact. energy: 0.151
local terms energy: -162.567586
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -43.893
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -504.489376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.489376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.576935 (E_RNA)
where:
Base-Base interactions energy: -350.987
where: short stacking energy: -126.634
Base-Backbone interact. energy: 0.097
local terms energy: -153.687673
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -35.421
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: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -492.909111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.909111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.313593 (E_RNA)
where:
Base-Base interactions energy: -338.953
where: short stacking energy: -134.947
Base-Backbone interact. energy: -0.429
local terms energy: -153.931445
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -37.528
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -491.319266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.319266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.639143 (E_RNA)
where:
Base-Base interactions energy: -344.543
where: short stacking energy: -138.783
Base-Backbone interact. energy: -0.686
local terms energy: -146.410586
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -40.165
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -36.107
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: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -489.811637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.811637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.149903 (E_RNA)
where:
Base-Base interactions energy: -345.511
where: short stacking energy: -140.461
Base-Backbone interact. energy: -0.334
local terms energy: -144.305469
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -36.167
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: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -453.979537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.979537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.382995 (E_RNA)
where:
Base-Base interactions energy: -316.735
where: short stacking energy: -111.308
Base-Backbone interact. energy: -0.892
local terms energy: -136.756331
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -425.415560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.415560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.631454 (E_RNA)
where:
Base-Base interactions energy: -290.512
where: short stacking energy: -112.256
Base-Backbone interact. energy: -0.200
local terms energy: -134.919340
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -32.923
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: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -405.980303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.980303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.317692 (E_RNA)
where:
Base-Base interactions energy: -289.151
where: short stacking energy: -113.445
Base-Backbone interact. energy: -1.113
local terms energy: -116.053451
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -26.165
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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -544.172709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.172709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.749563 (E_RNA)
where:
Base-Base interactions energy: -372.207
where: short stacking energy: -163.943
Base-Backbone interact. energy: 0.215
local terms energy: -172.757976
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -46.306
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -559.518312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.518312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.020617 (E_RNA)
where:
Base-Base interactions energy: -394.922
where: short stacking energy: -157.598
Base-Backbone interact. energy: -1.017
local terms energy: -164.081292
where:
bonds (distance) C4'-P energy: -32.725
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -45.809
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -532.051193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.051193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.433256 (E_RNA)
where:
Base-Base interactions energy: -361.736
where: short stacking energy: -160.373
Base-Backbone interact. energy: -1.964
local terms energy: -168.733317
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -44.753
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -525.779361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.779361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.126340 (E_RNA)
where:
Base-Base interactions energy: -360.172
where: short stacking energy: -160.427
Base-Backbone interact. energy: -0.822
local terms energy: -165.132175
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -46.968
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -503.755071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.755071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.302857 (E_RNA)
where:
Base-Base interactions energy: -342.990
where: short stacking energy: -142.651
Base-Backbone interact. energy: -0.319
local terms energy: -160.993644
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -40.986
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -486.859348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.859348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.979627 (E_RNA)
where:
Base-Base interactions energy: -333.223
where: short stacking energy: -132.263
Base-Backbone interact. energy: -0.499
local terms energy: -153.258028
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -33.827
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -38.363
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -485.230356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.230356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.651034 (E_RNA)
where:
Base-Base interactions energy: -330.110
where: short stacking energy: -139.276
Base-Backbone interact. energy: -0.436
local terms energy: -155.105032
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -36.395
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -40.784
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: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -417.249823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.249823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.580002 (E_RNA)
where:
Base-Base interactions energy: -285.973
where: short stacking energy: -107.962
Base-Backbone interact. energy: -0.334
local terms energy: -131.272885
where:
bonds (distance) C4'-P energy: -28.965
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -25.099
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -424.233314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.233314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.426186 (E_RNA)
where:
Base-Base interactions energy: -292.063
where: short stacking energy: -109.310
Base-Backbone interact. energy: -1.495
local terms energy: -131.868252
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 1.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -376.082188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.082188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.810899 (E_RNA)
where:
Base-Base interactions energy: -254.475
where: short stacking energy: -94.453
Base-Backbone interact. energy: -1.099
local terms energy: -121.236708
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -21.321
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -569.933808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.933808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.132681 (E_RNA)
where:
Base-Base interactions energy: -395.412
where: short stacking energy: -158.734
Base-Backbone interact. energy: 2.009
local terms energy: -176.730199
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -38.462
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -46.196
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: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -547.634966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.634966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.926195 (E_RNA)
where:
Base-Base interactions energy: -381.392
where: short stacking energy: -157.824
Base-Backbone interact. energy: 3.009
local terms energy: -169.542948
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -35.812
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -44.836
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -530.897834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.897834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.381272 (E_RNA)
where:
Base-Base interactions energy: -359.939
where: short stacking energy: -155.153
Base-Backbone interact. energy: -2.465
local terms energy: -168.977009
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -47.187
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -516.025345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.025345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.562902 (E_RNA)
where:
Base-Base interactions energy: -354.649
where: short stacking energy: -146.934
Base-Backbone interact. energy: 0.583
local terms energy: -162.496499
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -46.080
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -501.953159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.953159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.080436 (E_RNA)
where:
Base-Base interactions energy: -347.282
where: short stacking energy: -151.527
Base-Backbone interact. energy: 1.248
local terms energy: -156.046675
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -41.655
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -494.114273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.114273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.440262 (E_RNA)
where:
Base-Base interactions energy: -338.943
where: short stacking energy: -133.070
Base-Backbone interact. energy: -1.291
local terms energy: -154.206353
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -38.629
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: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -457.535939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.535939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.939229 (E_RNA)
where:
Base-Base interactions energy: -312.822
where: short stacking energy: -132.069
Base-Backbone interact. energy: -0.334
local terms energy: -145.783031
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -33.744
Dist. restrs. and SS energy: 1.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -445.208891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.208891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.561066 (E_RNA)
where:
Base-Base interactions energy: -297.274
where: short stacking energy: -115.232
Base-Backbone interact. energy: -1.519
local terms energy: -146.768107
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -33.461
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: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -446.043668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.043668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.834119 (E_RNA)
where:
Base-Base interactions energy: -299.077
where: short stacking energy: -122.645
Base-Backbone interact. energy: 1.600
local terms energy: -149.356811
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -36.206
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: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -410.631115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.631115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.806342 (E_RNA)
where:
Base-Base interactions energy: -284.257
where: short stacking energy: -101.757
Base-Backbone interact. energy: -0.381
local terms energy: -126.168278
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -19.911
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -565.453178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.453178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.000694 (E_RNA)
where:
Base-Base interactions energy: -387.927
where: short stacking energy: -159.029
Base-Backbone interact. energy: -0.376
local terms energy: -177.697562
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -45.765
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -530.138380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.138380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.654460 (E_RNA)
where:
Base-Base interactions energy: -357.957
where: short stacking energy: -154.058
Base-Backbone interact. energy: -1.451
local terms energy: -171.246911
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -33.643
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -46.076
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -537.358567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.358567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.172445 (E_RNA)
where:
Base-Base interactions energy: -369.952
where: short stacking energy: -149.435
Base-Backbone interact. energy: 0.369
local terms energy: -168.589161
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -49.377
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -524.969005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.969005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.165233 (E_RNA)
where:
Base-Base interactions energy: -347.446
where: short stacking energy: -148.779
Base-Backbone interact. energy: -0.513
local terms energy: -177.206219
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -37.199
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -45.331
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -498.038630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.038630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.437628 (E_RNA)
where:
Base-Base interactions energy: -344.027
where: short stacking energy: -127.323
Base-Backbone interact. energy: -0.683
local terms energy: -153.727847
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -35.970
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: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -488.413246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.413246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.845560 (E_RNA)
where:
Base-Base interactions energy: -350.972
where: short stacking energy: -136.993
Base-Backbone interact. energy: -0.830
local terms energy: -137.043315
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -35.446
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: 265
Temperature: 1.200000
Total energy: -453.429087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.429087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.643875 (E_RNA)
where:
Base-Base interactions energy: -314.724
where: short stacking energy: -115.937
Base-Backbone interact. energy: -1.819
local terms energy: -137.100375
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -34.719
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -449.982942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.982942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.788010 (E_RNA)
where:
Base-Base interactions energy: -313.590
where: short stacking energy: -122.083
Base-Backbone interact. energy: -1.159
local terms energy: -136.039247
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -29.942
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -35.283
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: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -451.714498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.714498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.140898 (E_RNA)
where:
Base-Base interactions energy: -315.163
where: short stacking energy: -130.431
Base-Backbone interact. energy: -1.162
local terms energy: -135.815291
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -33.950
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: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -383.892997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.892997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.643168 (E_RNA)
where:
Base-Base interactions energy: -274.306
where: short stacking energy: -97.143
Base-Backbone interact. energy: -0.456
local terms energy: -109.881262
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -540.396982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.396982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.536307 (E_RNA)
where:
Base-Base interactions energy: -370.112
where: short stacking energy: -154.498
Base-Backbone interact. energy: -0.488
local terms energy: -171.936975
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -46.170
Dist. restrs. and SS energy: 2.139 (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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -545.302405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.302405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.771882 (E_RNA)
where:
Base-Base interactions energy: -384.172
where: short stacking energy: -156.198
Base-Backbone interact. energy: 2.017
local terms energy: -163.617599
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -42.287
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -514.329601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.329601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.072111 (E_RNA)
where:
Base-Base interactions energy: -353.389
where: short stacking energy: -152.060
Base-Backbone interact. energy: 1.021
local terms energy: -162.703474
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -38.676
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -44.370
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -529.604469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.604469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.076658 (E_RNA)
where:
Base-Base interactions energy: -370.458
where: short stacking energy: -148.206
Base-Backbone interact. energy: 0.163
local terms energy: -159.781750
where:
bonds (distance) C4'-P energy: -34.152
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -42.820
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: 266
Temperature: 1.100000
Total energy: -499.959045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.959045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.299877 (E_RNA)
where:
Base-Base interactions energy: -344.651
where: short stacking energy: -142.918
Base-Backbone interact. energy: 0.486
local terms energy: -156.134558
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -37.737
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -484.252842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.252842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.853488 (E_RNA)
where:
Base-Base interactions energy: -327.609
where: short stacking energy: -129.061
Base-Backbone interact. energy: 0.112
local terms energy: -157.356828
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -30.525
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -483.490078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.490078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.930011 (E_RNA)
where:
Base-Base interactions energy: -342.681
where: short stacking energy: -146.121
Base-Backbone interact. energy: -0.391
local terms energy: -141.858234
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -40.104
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -452.990607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.990607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.260300 (E_RNA)
where:
Base-Base interactions energy: -319.996
where: short stacking energy: -124.037
Base-Backbone interact. energy: 1.285
local terms energy: -134.549189
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -31.433
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -431.198416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.198416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.254587 (E_RNA)
where:
Base-Base interactions energy: -305.964
where: short stacking energy: -121.365
Base-Backbone interact. energy: -0.864
local terms energy: -125.426381
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -32.801
Dist. restrs. and SS energy: 1.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -399.188720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.188720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.836320 (E_RNA)
where:
Base-Base interactions energy: -278.289
where: short stacking energy: -109.405
Base-Backbone interact. energy: -0.146
local terms energy: -121.400540
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -23.514
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: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -554.455386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.455386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.589882 (E_RNA)
where:
Base-Base interactions energy: -375.135
where: short stacking energy: -151.606
Base-Backbone interact. energy: -2.015
local terms energy: -177.440202
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -43.697
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: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -534.971816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.971816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.161522 (E_RNA)
where:
Base-Base interactions energy: -368.366
where: short stacking energy: -155.551
Base-Backbone interact. energy: -1.013
local terms energy: -165.782483
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -40.310
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: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -527.567689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.567689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.307175 (E_RNA)
where:
Base-Base interactions energy: -368.240
where: short stacking energy: -147.433
Base-Backbone interact. energy: -0.388
local terms energy: -159.679152
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -39.504
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -43.922
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -519.517028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.517028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.032329 (E_RNA)
where:
Base-Base interactions energy: -354.499
where: short stacking energy: -146.456
Base-Backbone interact. energy: -1.466
local terms energy: -164.067663
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -42.026
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: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -512.959523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.959523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.415672 (E_RNA)
where:
Base-Base interactions energy: -341.323
where: short stacking energy: -142.493
Base-Backbone interact. energy: 0.853
local terms energy: -172.945107
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -41.785
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -499.760912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.760912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.455871 (E_RNA)
where:
Base-Base interactions energy: -362.768
where: short stacking energy: -141.444
Base-Backbone interact. energy: -0.213
local terms energy: -138.474477
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 1.695 (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: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -465.388155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.388155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.297883 (E_RNA)
where:
Base-Base interactions energy: -323.471
where: short stacking energy: -124.607
Base-Backbone interact. energy: -1.384
local terms energy: -141.442925
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -480.168362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.168362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.701775 (E_RNA)
where:
Base-Base interactions energy: -328.636
where: short stacking energy: -124.804
Base-Backbone interact. energy: -1.462
local terms energy: -150.603376
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -40.415
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: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -441.868763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.868763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.028028 (E_RNA)
where:
Base-Base interactions energy: -307.333
where: short stacking energy: -127.213
Base-Backbone interact. energy: 0.104
local terms energy: -134.799141
where:
bonds (distance) C4'-P energy: -31.233
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -33.579
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -403.917149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.917149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.732085 (E_RNA)
where:
Base-Base interactions energy: -272.680
where: short stacking energy: -107.964
Base-Backbone interact. energy: 0.181
local terms energy: -132.233603
where:
bonds (distance) C4'-P energy: -34.882
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -25.879
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: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -544.170539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.170539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.008808 (E_RNA)
where:
Base-Base interactions energy: -377.934
where: short stacking energy: -162.003
Base-Backbone interact. energy: -1.014
local terms energy: -166.061082
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -37.777
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -41.391
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: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -533.111004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.111004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.277342 (E_RNA)
where:
Base-Base interactions energy: -361.052
where: short stacking energy: -142.583
Base-Backbone interact. energy: -0.626
local terms energy: -171.599989
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -42.461
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -522.747137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.747137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.412573 (E_RNA)
where:
Base-Base interactions energy: -358.140
where: short stacking energy: -149.632
Base-Backbone interact. energy: 2.050
local terms energy: -167.322747
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -40.167
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -521.197616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.197616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.831054 (E_RNA)
where:
Base-Base interactions energy: -360.048
where: short stacking energy: -155.369
Base-Backbone interact. energy: -0.391
local terms energy: -161.391962
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -44.405
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -516.783335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.783335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.406391 (E_RNA)
where:
Base-Base interactions energy: -353.080
where: short stacking energy: -136.609
Base-Backbone interact. energy: -1.386
local terms energy: -162.940478
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -39.054
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -38.588
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: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -475.377767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.377767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.782996 (E_RNA)
where:
Base-Base interactions energy: -329.283
where: short stacking energy: -118.216
Base-Backbone interact. energy: -0.658
local terms energy: -145.841724
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -36.249
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: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -489.800525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.800525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.602116 (E_RNA)
where:
Base-Base interactions energy: -340.893
where: short stacking energy: -151.085
Base-Backbone interact. energy: -0.468
local terms energy: -149.241135
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -39.707
Dist. restrs. and SS energy: 0.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -462.660622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.660622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.811186 (E_RNA)
where:
Base-Base interactions energy: -334.159
where: short stacking energy: -131.299
Base-Backbone interact. energy: -1.573
local terms energy: -127.079420
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -30.792
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -436.505697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.505697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.106550 (E_RNA)
where:
Base-Base interactions energy: -306.464
where: short stacking energy: -128.014
Base-Backbone interact. energy: 2.066
local terms energy: -132.709105
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -28.043
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -415.103629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.103629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.510202 (E_RNA)
where:
Base-Base interactions energy: -283.184
where: short stacking energy: -108.464
Base-Backbone interact. energy: -0.384
local terms energy: -131.942225
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -29.416
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -24.114
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: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -550.949405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.949405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.687110 (E_RNA)
where:
Base-Base interactions energy: -378.564
where: short stacking energy: -151.028
Base-Backbone interact. energy: -0.448
local terms energy: -172.674537
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -45.809
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -530.043834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.043834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.213948 (E_RNA)
where:
Base-Base interactions energy: -356.540
where: short stacking energy: -150.386
Base-Backbone interact. energy: -1.661
local terms energy: -172.012980
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -47.947
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: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -523.761832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.761832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.655810 (E_RNA)
where:
Base-Base interactions energy: -363.642
where: short stacking energy: -132.840
Base-Backbone interact. energy: -1.615
local terms energy: -159.399576
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -523.598744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.598744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.138689 (E_RNA)
where:
Base-Base interactions energy: -368.432
where: short stacking energy: -145.989
Base-Backbone interact. energy: -1.280
local terms energy: -154.426854
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -39.886
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: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -496.195393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.195393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.406295 (E_RNA)
where:
Base-Base interactions energy: -339.945
where: short stacking energy: -135.055
Base-Backbone interact. energy: -1.216
local terms energy: -155.245702
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -35.024
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -39.081
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -485.532302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.532302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.393665 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -135.325
Base-Backbone interact. energy: 0.575
local terms energy: -150.429953
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -35.589
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: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -456.594469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.594469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.849880 (E_RNA)
where:
Base-Base interactions energy: -318.912
where: short stacking energy: -119.032
Base-Backbone interact. energy: -0.968
local terms energy: -136.969741
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -34.472
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: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -460.855212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.855212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.146961 (E_RNA)
where:
Base-Base interactions energy: -316.188
where: short stacking energy: -117.270
Base-Backbone interact. energy: -1.772
local terms energy: -143.186792
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -29.960
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: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -423.578294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.578294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.287392 (E_RNA)
where:
Base-Base interactions energy: -294.830
where: short stacking energy: -114.001
Base-Backbone interact. energy: 1.344
local terms energy: -130.801109
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -25.627
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: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -384.801200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.801200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.067907 (E_RNA)
where:
Base-Base interactions energy: -268.365
where: short stacking energy: -102.352
Base-Backbone interact. energy: -0.685
local terms energy: -119.017775
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 3.267 (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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -539.035099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.035099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.191173 (E_RNA)
where:
Base-Base interactions energy: -373.310
where: short stacking energy: -160.578
Base-Backbone interact. energy: -1.147
local terms energy: -164.734341
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -43.349
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: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -541.537142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.537142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.010202 (E_RNA)
where:
Base-Base interactions energy: -373.950
where: short stacking energy: -159.080
Base-Backbone interact. energy: 0.068
local terms energy: -168.127807
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -45.700
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: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -527.567039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.567039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.335417 (E_RNA)
where:
Base-Base interactions energy: -374.910
where: short stacking energy: -153.292
Base-Backbone interact. energy: 3.057
local terms energy: -156.482601
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -40.967
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -518.570893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.570893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.806092 (E_RNA)
where:
Base-Base interactions energy: -354.991
where: short stacking energy: -142.598
Base-Backbone interact. energy: -0.953
local terms energy: -163.862360
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 1.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -495.666702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.666702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.441141 (E_RNA)
where:
Base-Base interactions energy: -341.775
where: short stacking energy: -138.558
Base-Backbone interact. energy: -1.465
local terms energy: -153.200999
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -37.822
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -487.450894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.450894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.283017 (E_RNA)
where:
Base-Base interactions energy: -338.999
where: short stacking energy: -136.025
Base-Backbone interact. energy: -0.715
local terms energy: -148.569532
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -32.976
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: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -467.330908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.330908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.046982 (E_RNA)
where:
Base-Base interactions energy: -308.095
where: short stacking energy: -127.486
Base-Backbone interact. energy: -0.487
local terms energy: -159.465574
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -36.067
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -44.279
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: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -485.163277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.163277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.470974 (E_RNA)
where:
Base-Base interactions energy: -340.737
where: short stacking energy: -131.409
Base-Backbone interact. energy: -1.411
local terms energy: -143.322403
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -36.236
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: 270
Temperature: 1.300000
Total energy: -437.226609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.226609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.893488 (E_RNA)
where:
Base-Base interactions energy: -306.527
where: short stacking energy: -123.353
Base-Backbone interact. energy: -0.679
local terms energy: -130.688374
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -29.424
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -425.832656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.832656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.161792 (E_RNA)
where:
Base-Base interactions energy: -300.337
where: short stacking energy: -119.984
Base-Backbone interact. energy: -0.976
local terms energy: -124.848528
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -29.880
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: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -553.724680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.724680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.939495 (E_RNA)
where:
Base-Base interactions energy: -383.066
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.615
local terms energy: -170.258351
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -41.302
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: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -542.450388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.450388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.994067 (E_RNA)
where:
Base-Base interactions energy: -383.750
where: short stacking energy: -155.374
Base-Backbone interact. energy: -0.529
local terms energy: -159.714864
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -42.121
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -514.076286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.076286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.815683 (E_RNA)
where:
Base-Base interactions energy: -354.219
where: short stacking energy: -138.945
Base-Backbone interact. energy: -1.247
local terms energy: -159.349443
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -39.308
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -518.612140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.612140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.081451 (E_RNA)
where:
Base-Base interactions energy: -361.638
where: short stacking energy: -141.876
Base-Backbone interact. energy: -0.546
local terms energy: -156.897123
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -35.745
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: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -481.249174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.249174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.512562 (E_RNA)
where:
Base-Base interactions energy: -337.268
where: short stacking energy: -134.224
Base-Backbone interact. energy: -0.116
local terms energy: -144.128667
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -491.052895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.052895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.305157 (E_RNA)
where:
Base-Base interactions energy: -342.403
where: short stacking energy: -142.445
Base-Backbone interact. energy: 0.101
local terms energy: -149.002872
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -35.744
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -481.300138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.300138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.055062 (E_RNA)
where:
Base-Base interactions energy: -338.139
where: short stacking energy: -135.915
Base-Backbone interact. energy: -1.840
local terms energy: -142.075979
where:
bonds (distance) C4'-P energy: -25.714
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -38.559
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -438.756258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.756258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.931896 (E_RNA)
where:
Base-Base interactions energy: -286.090
where: short stacking energy: -103.221
Base-Backbone interact. energy: -1.725
local terms energy: -151.117408
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -32.716
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -446.678629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.678629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.203547 (E_RNA)
where:
Base-Base interactions energy: -289.890
where: short stacking energy: -111.984
Base-Backbone interact. energy: -0.441
local terms energy: -156.872308
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -34.580
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: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -453.715060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.715060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.334287 (E_RNA)
where:
Base-Base interactions energy: -314.109
where: short stacking energy: -126.457
Base-Backbone interact. energy: -0.290
local terms energy: -139.935025
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -34.519
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -556.271318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.603045 (E_RNA)
where:
Base-Base interactions energy: -372.258
where: short stacking energy: -158.771
Base-Backbone interact. energy: -0.496
local terms energy: -183.848404
where:
bonds (distance) C4'-P energy: -38.760
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -49.362
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: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -550.539320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.539320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.247792 (E_RNA)
where:
Base-Base interactions energy: -380.591
where: short stacking energy: -149.316
Base-Backbone interact. energy: 0.091
local terms energy: -170.747642
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -41.961
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -523.799314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.799314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.450699 (E_RNA)
where:
Base-Base interactions energy: -354.707
where: short stacking energy: -134.151
Base-Backbone interact. energy: 1.311
local terms energy: -171.053965
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -26.288
tors. eta vs tors. theta energy: -42.751
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: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -512.685498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.685498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.082933 (E_RNA)
where:
Base-Base interactions energy: -348.807
where: short stacking energy: -146.194
Base-Backbone interact. energy: -0.360
local terms energy: -164.915911
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -36.493
flat angles P-C4'-P energy: -25.846
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: 1.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -493.014121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.014121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.085560 (E_RNA)
where:
Base-Base interactions energy: -334.591
where: short stacking energy: -137.359
Base-Backbone interact. energy: -0.264
local terms energy: -158.229946
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -38.189
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: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -467.891561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.891561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.610158 (E_RNA)
where:
Base-Base interactions energy: -329.359
where: short stacking energy: -136.346
Base-Backbone interact. energy: -0.975
local terms energy: -138.275765
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -34.234
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: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -479.782241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.782241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.243115 (E_RNA)
where:
Base-Base interactions energy: -330.773
where: short stacking energy: -133.178
Base-Backbone interact. energy: -1.436
local terms energy: -148.034337
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -43.846
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: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -433.853638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.853638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.948458 (E_RNA)
where:
Base-Base interactions energy: -303.497
where: short stacking energy: -107.139
Base-Backbone interact. energy: -0.815
local terms energy: -129.636068
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -27.269
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: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -447.563463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.563463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.117492 (E_RNA)
where:
Base-Base interactions energy: -309.332
where: short stacking energy: -118.582
Base-Backbone interact. energy: -0.133
local terms energy: -138.652578
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -35.210
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -424.377931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.377931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.519864 (E_RNA)
where:
Base-Base interactions energy: -299.998
where: short stacking energy: -109.219
Base-Backbone interact. energy: -0.088
local terms energy: -124.433265
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -28.618
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: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -549.613281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.613281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.102041 (E_RNA)
where:
Base-Base interactions energy: -374.970
where: short stacking energy: -155.848
Base-Backbone interact. energy: -0.324
local terms energy: -174.807695
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -43.643
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: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -561.896259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.896259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.329905 (E_RNA)
where:
Base-Base interactions energy: -387.842
where: short stacking energy: -150.815
Base-Backbone interact. energy: -0.743
local terms energy: -173.745260
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -40.514
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -523.810499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.810499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.676353 (E_RNA)
where:
Base-Base interactions energy: -350.044
where: short stacking energy: -140.194
Base-Backbone interact. energy: -1.001
local terms energy: -173.631097
where:
bonds (distance) C4'-P energy: -37.908
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -36.662
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: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -514.198332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.198332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.817936 (E_RNA)
where:
Base-Base interactions energy: -348.958
where: short stacking energy: -142.090
Base-Backbone interact. energy: -0.419
local terms energy: -165.441065
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -42.595
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: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -494.893578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.893578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.226006 (E_RNA)
where:
Base-Base interactions energy: -337.346
where: short stacking energy: -141.212
Base-Backbone interact. energy: 1.471
local terms energy: -159.350264
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -40.286
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -483.217753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.217753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.917026 (E_RNA)
where:
Base-Base interactions energy: -332.382
where: short stacking energy: -130.054
Base-Backbone interact. energy: -0.435
local terms energy: -151.099875
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -36.709
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -456.728924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.728924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.245588 (E_RNA)
where:
Base-Base interactions energy: -322.083
where: short stacking energy: -117.476
Base-Backbone interact. energy: -0.433
local terms energy: -134.728986
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -31.805
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: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -456.980585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.980585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.085103 (E_RNA)
where:
Base-Base interactions energy: -310.748
where: short stacking energy: -123.274
Base-Backbone interact. energy: -0.423
local terms energy: -146.913967
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -430.508910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.508910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.877882 (E_RNA)
where:
Base-Base interactions energy: -300.421
where: short stacking energy: -110.499
Base-Backbone interact. energy: -1.259
local terms energy: -129.197288
where:
bonds (distance) C4'-P energy: -26.853
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -27.242
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: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -471.671942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.671942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.143520 (E_RNA)
where:
Base-Base interactions energy: -328.608
where: short stacking energy: -128.885
Base-Backbone interact. energy: -0.214
local terms energy: -143.321448
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -39.951
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -556.642866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.642866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.247837 (E_RNA)
where:
Base-Base interactions energy: -378.041
where: short stacking energy: -148.283
Base-Backbone interact. energy: -1.369
local terms energy: -177.837300
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -40.310
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -45.883
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: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -546.534743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.534743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.699700 (E_RNA)
where:
Base-Base interactions energy: -370.380
where: short stacking energy: -156.112
Base-Backbone interact. energy: 0.005
local terms energy: -176.325007
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -46.870
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: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -537.001400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.001400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.431906 (E_RNA)
where:
Base-Base interactions energy: -364.841
where: short stacking energy: -145.683
Base-Backbone interact. energy: -0.115
local terms energy: -172.475479
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: -43.358
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: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -514.280610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.280610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.052900 (E_RNA)
where:
Base-Base interactions energy: -351.277
where: short stacking energy: -153.032
Base-Backbone interact. energy: -0.738
local terms energy: -163.037693
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -499.781428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.781428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.987456 (E_RNA)
where:
Base-Base interactions energy: -336.984
where: short stacking energy: -135.314
Base-Backbone interact. energy: -1.389
local terms energy: -161.614043
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -42.395
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: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -484.794264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.794264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.990892 (E_RNA)
where:
Base-Base interactions energy: -338.858
where: short stacking energy: -137.953
Base-Backbone interact. energy: -0.722
local terms energy: -145.411049
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -38.480
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -456.971164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.221951 (E_RNA)
where:
Base-Base interactions energy: -326.962
where: short stacking energy: -131.105
Base-Backbone interact. energy: 0.800
local terms energy: -132.059623
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -34.698
Dist. restrs. and SS energy: 1.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -422.563970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.563970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.106029 (E_RNA)
where:
Base-Base interactions energy: -294.286
where: short stacking energy: -116.469
Base-Backbone interact. energy: -0.114
local terms energy: -133.705644
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 5.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -450.342818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.342818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.832926 (E_RNA)
where:
Base-Base interactions energy: -320.341
where: short stacking energy: -120.943
Base-Backbone interact. energy: -0.360
local terms energy: -130.131203
where:
bonds (distance) C4'-P energy: -26.293
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -35.764
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: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -437.008140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.008140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.595471 (E_RNA)
where:
Base-Base interactions energy: -310.158
where: short stacking energy: -121.879
Base-Backbone interact. energy: -0.549
local terms energy: -126.888898
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -31.284
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: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -561.959937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.959937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.943474 (E_RNA)
where:
Base-Base interactions energy: -384.453
where: short stacking energy: -163.730
Base-Backbone interact. energy: -2.066
local terms energy: -176.425014
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -49.701
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -538.564539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.564539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.873768 (E_RNA)
where:
Base-Base interactions energy: -371.243
where: short stacking energy: -154.555
Base-Backbone interact. energy: -0.282
local terms energy: -167.348389
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -47.164
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: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -523.791282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.791282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.093265 (E_RNA)
where:
Base-Base interactions energy: -362.606
where: short stacking energy: -152.936
Base-Backbone interact. energy: -0.194
local terms energy: -161.292641
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -40.523
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -522.944342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.944342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.295991 (E_RNA)
where:
Base-Base interactions energy: -351.495
where: short stacking energy: -144.301
Base-Backbone interact. energy: -1.207
local terms energy: -170.594283
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -35.489
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -44.808
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: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -503.418297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.418297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.586017 (E_RNA)
where:
Base-Base interactions energy: -349.042
where: short stacking energy: -140.925
Base-Backbone interact. energy: -1.222
local terms energy: -154.321834
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -39.989
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: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -473.246700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.246700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.831189 (E_RNA)
where:
Base-Base interactions energy: -325.771
where: short stacking energy: -127.728
Base-Backbone interact. energy: 0.705
local terms energy: -148.764937
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -33.591
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: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -481.442445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.442445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.978946 (E_RNA)
where:
Base-Base interactions energy: -328.317
where: short stacking energy: -128.679
Base-Backbone interact. energy: -0.416
local terms energy: -153.246288
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -38.725
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: 275
Temperature: 1.250000
Total energy: -450.434995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.434995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.767704 (E_RNA)
where:
Base-Base interactions energy: -306.330
where: short stacking energy: -119.599
Base-Backbone interact. energy: -0.838
local terms energy: -143.598853
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -33.206
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: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -422.751274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.751274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.259638 (E_RNA)
where:
Base-Base interactions energy: -290.956
where: short stacking energy: -112.108
Base-Backbone interact. energy: -0.295
local terms energy: -134.008784
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -35.556
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -421.073378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.073378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.275279 (E_RNA)
where:
Base-Base interactions energy: -280.109
where: short stacking energy: -110.510
Base-Backbone interact. energy: -1.330
local terms energy: -140.836173
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -36.538
Dist. restrs. and SS energy: 1.202 (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: 276
Temperature: 0.900000
Total energy: -568.679512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.679512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.980279 (E_RNA)
where:
Base-Base interactions energy: -385.992
where: short stacking energy: -157.454
Base-Backbone interact. energy: -1.008
local terms energy: -181.980103
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -532.186956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.186956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.588989 (E_RNA)
where:
Base-Base interactions energy: -355.748
where: short stacking energy: -138.615
Base-Backbone interact. energy: -0.625
local terms energy: -176.216373
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -39.975
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -44.124
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -536.424868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.424868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.602094 (E_RNA)
where:
Base-Base interactions energy: -374.058
where: short stacking energy: -156.927
Base-Backbone interact. energy: -0.089
local terms energy: -162.455604
where:
bonds (distance) C4'-P energy: -28.200
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -45.284
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: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -514.479490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.479490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.180569 (E_RNA)
where:
Base-Base interactions energy: -350.798
where: short stacking energy: -139.444
Base-Backbone interact. energy: -0.542
local terms energy: -163.840038
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -45.551
Dist. restrs. and SS energy: 0.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -485.116867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.116867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.350451 (E_RNA)
where:
Base-Base interactions energy: -349.665
where: short stacking energy: -133.807
Base-Backbone interact. energy: -1.494
local terms energy: -134.191345
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -483.753223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.753223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.813317 (E_RNA)
where:
Base-Base interactions energy: -334.569
where: short stacking energy: -120.858
Base-Backbone interact. energy: -0.847
local terms energy: -149.397504
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -36.055
Dist. restrs. and SS energy: 1.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -465.430942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.430942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.649948 (E_RNA)
where:
Base-Base interactions energy: -323.647
where: short stacking energy: -124.673
Base-Backbone interact. energy: -0.031
local terms energy: -141.971888
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -33.660
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: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -480.454569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.454569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.201227 (E_RNA)
where:
Base-Base interactions energy: -332.214
where: short stacking energy: -131.228
Base-Backbone interact. energy: -1.205
local terms energy: -147.782327
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -40.794
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: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -443.921328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.921328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.425538 (E_RNA)
where:
Base-Base interactions energy: -319.637
where: short stacking energy: -120.796
Base-Backbone interact. energy: -1.274
local terms energy: -123.514867
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -28.578
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: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -427.585396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.585396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.980567 (E_RNA)
where:
Base-Base interactions energy: -292.414
where: short stacking energy: -110.626
Base-Backbone interact. energy: -0.665
local terms energy: -135.901950
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 1.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -563.821560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.821560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.698101 (E_RNA)
where:
Base-Base interactions energy: -388.474
where: short stacking energy: -163.727
Base-Backbone interact. energy: -0.500
local terms energy: -175.724518
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -38.424
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -45.415
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -538.450311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.450311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.999866 (E_RNA)
where:
Base-Base interactions energy: -363.394
where: short stacking energy: -151.086
Base-Backbone interact. energy: -1.447
local terms energy: -174.158850
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -43.816
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -524.177084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.177084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.589493 (E_RNA)
where:
Base-Base interactions energy: -369.402
where: short stacking energy: -154.827
Base-Backbone interact. energy: -0.707
local terms energy: -154.481087
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -41.147
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: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -515.139593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.139593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.374973 (E_RNA)
where:
Base-Base interactions energy: -351.712
where: short stacking energy: -147.750
Base-Backbone interact. energy: 1.201
local terms energy: -164.863136
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -44.970
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -496.354196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.354196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.920322 (E_RNA)
where:
Base-Base interactions energy: -338.865
where: short stacking energy: -144.384
Base-Backbone interact. energy: -1.481
local terms energy: -156.574982
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -40.606
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -484.666773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.666773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.138065 (E_RNA)
where:
Base-Base interactions energy: -339.206
where: short stacking energy: -118.439
Base-Backbone interact. energy: -0.770
local terms energy: -145.161799
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -35.824
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: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -457.122555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.122555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.324998 (E_RNA)
where:
Base-Base interactions energy: -304.885
where: short stacking energy: -118.222
Base-Backbone interact. energy: -1.238
local terms energy: -152.202919
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: 1.202 (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: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -454.878122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.878122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.906063 (E_RNA)
where:
Base-Base interactions energy: -324.298
where: short stacking energy: -130.909
Base-Backbone interact. energy: 1.142
local terms energy: -131.749813
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -34.478
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: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -454.364078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.364078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.633012 (E_RNA)
where:
Base-Base interactions energy: -329.682
where: short stacking energy: -128.596
Base-Backbone interact. energy: -0.404
local terms energy: -125.547051
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -33.408
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -35.031
Dist. restrs. and SS energy: 1.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -432.757269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.757269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.100561 (E_RNA)
where:
Base-Base interactions energy: -310.521
where: short stacking energy: -119.028
Base-Backbone interact. energy: 0.617
local terms energy: -123.197487
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -550.731003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.731003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.408031 (E_RNA)
where:
Base-Base interactions energy: -369.352
where: short stacking energy: -147.330
Base-Backbone interact. energy: -0.275
local terms energy: -181.781061
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -42.158
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -44.452
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: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -551.378364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.378364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.355344 (E_RNA)
where:
Base-Base interactions energy: -373.386
where: short stacking energy: -151.534
Base-Backbone interact. energy: -0.698
local terms energy: -178.272075
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -42.793
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -527.262716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.262716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.708846 (E_RNA)
where:
Base-Base interactions energy: -363.709
where: short stacking energy: -149.581
Base-Backbone interact. energy: 0.742
local terms energy: -164.741321
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -43.630
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -535.695561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.695561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.252341 (E_RNA)
where:
Base-Base interactions energy: -367.931
where: short stacking energy: -154.762
Base-Backbone interact. energy: -0.704
local terms energy: -167.617613
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -36.412
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -42.589
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: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -489.414499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.414499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.249698 (E_RNA)
where:
Base-Base interactions energy: -343.367
where: short stacking energy: -142.063
Base-Backbone interact. energy: -2.845
local terms energy: -144.037677
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -44.357
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -473.533893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.533893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.344416 (E_RNA)
where:
Base-Base interactions energy: -325.382
where: short stacking energy: -122.922
Base-Backbone interact. energy: -0.773
local terms energy: -148.189972
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -34.658
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -474.768393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.768393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.179507 (E_RNA)
where:
Base-Base interactions energy: -331.105
where: short stacking energy: -130.690
Base-Backbone interact. energy: -0.199
local terms energy: -143.875147
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -30.706
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: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -454.656883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.656883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.821072 (E_RNA)
where:
Base-Base interactions energy: -312.236
where: short stacking energy: -125.845
Base-Backbone interact. energy: -0.865
local terms energy: -141.720229
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -33.965
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -426.879812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.879812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.854946 (E_RNA)
where:
Base-Base interactions energy: -297.606
where: short stacking energy: -104.679
Base-Backbone interact. energy: 1.156
local terms energy: -131.404663
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -33.826
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: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -442.946604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.946604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.510026 (E_RNA)
where:
Base-Base interactions energy: -297.039
where: short stacking energy: -111.181
Base-Backbone interact. energy: -1.743
local terms energy: -144.727862
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -32.058
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: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -544.272431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.272431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.641921 (E_RNA)
where:
Base-Base interactions energy: -375.169
where: short stacking energy: -153.643
Base-Backbone interact. energy: -1.075
local terms energy: -168.397845
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -33.528
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -41.584
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: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -544.101462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.101462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.486454 (E_RNA)
where:
Base-Base interactions energy: -370.849
where: short stacking energy: -160.667
Base-Backbone interact. energy: -0.762
local terms energy: -172.875484
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -42.814
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: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -518.021794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.021794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.959742 (E_RNA)
where:
Base-Base interactions energy: -365.685
where: short stacking energy: -144.861
Base-Backbone interact. energy: -0.968
local terms energy: -152.306478
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -504.945138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.945138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.273158 (E_RNA)
where:
Base-Base interactions energy: -343.622
where: short stacking energy: -154.392
Base-Backbone interact. energy: -0.577
local terms energy: -162.074299
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -503.101817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.101817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.722167 (E_RNA)
where:
Base-Base interactions energy: -337.746
where: short stacking energy: -142.620
Base-Backbone interact. energy: -1.348
local terms energy: -164.627873
where:
bonds (distance) C4'-P energy: -36.823
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -41.111
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: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -479.857583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.857583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.282087 (E_RNA)
where:
Base-Base interactions energy: -328.587
where: short stacking energy: -129.558
Base-Backbone interact. energy: -0.578
local terms energy: -151.116880
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -36.518
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: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -478.320207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.320207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.998993 (E_RNA)
where:
Base-Base interactions energy: -324.806
where: short stacking energy: -133.676
Base-Backbone interact. energy: -0.966
local terms energy: -153.226941
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -41.655
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -460.407373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.407373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.236020 (E_RNA)
where:
Base-Base interactions energy: -309.275
where: short stacking energy: -121.765
Base-Backbone interact. energy: -1.346
local terms energy: -150.614687
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -32.612
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: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -431.961821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.961821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.381772 (E_RNA)
where:
Base-Base interactions energy: -304.741
where: short stacking energy: -120.145
Base-Backbone interact. energy: -0.255
local terms energy: -127.385437
where:
bonds (distance) C4'-P energy: -31.204
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -30.524
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: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -418.957994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.957994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.948672 (E_RNA)
where:
Base-Base interactions energy: -298.846
where: short stacking energy: -122.048
Base-Backbone interact. energy: 2.744
local terms energy: -123.847147
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -35.826
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: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -560.044488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.044488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.357064 (E_RNA)
where:
Base-Base interactions energy: -391.507
where: short stacking energy: -168.690
Base-Backbone interact. energy: -0.304
local terms energy: -168.546701
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -43.207
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -520.108322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.108322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.015572 (E_RNA)
where:
Base-Base interactions energy: -350.968
where: short stacking energy: -143.455
Base-Backbone interact. energy: 0.609
local terms energy: -170.656006
where:
bonds (distance) C4'-P energy: -29.359
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -522.257343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.257343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.791571 (E_RNA)
where:
Base-Base interactions energy: -375.076
where: short stacking energy: -146.085
Base-Backbone interact. energy: -1.188
local terms energy: -146.527665
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -39.409
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: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -526.239984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.239984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.688319 (E_RNA)
where:
Base-Base interactions energy: -348.679
where: short stacking energy: -150.697
Base-Backbone interact. energy: -0.930
local terms energy: -177.079505
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -40.504
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -45.449
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -493.741983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.741983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.323040 (E_RNA)
where:
Base-Base interactions energy: -346.457
where: short stacking energy: -138.388
Base-Backbone interact. energy: -0.527
local terms energy: -147.338625
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -35.421
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -492.246727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.246727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.816675 (E_RNA)
where:
Base-Base interactions energy: -337.004
where: short stacking energy: -148.690
Base-Backbone interact. energy: -1.800
local terms energy: -154.012819
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -472.944510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.944510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.526335 (E_RNA)
where:
Base-Base interactions energy: -326.757
where: short stacking energy: -138.441
Base-Backbone interact. energy: -0.048
local terms energy: -147.721752
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -40.183
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -475.927181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.927181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.375043 (E_RNA)
where:
Base-Base interactions energy: -349.761
where: short stacking energy: -126.565
Base-Backbone interact. energy: -0.930
local terms energy: -125.683918
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -33.315
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: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -428.440397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.440397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.680338 (E_RNA)
where:
Base-Base interactions energy: -293.251
where: short stacking energy: -110.464
Base-Backbone interact. energy: -0.217
local terms energy: -135.211926
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -27.479
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: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -424.277154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.277154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.466466 (E_RNA)
where:
Base-Base interactions energy: -309.279
where: short stacking energy: -109.569
Base-Backbone interact. energy: 0.125
local terms energy: -115.312336
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -23.790
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: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -556.538173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.538173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.668412 (E_RNA)
where:
Base-Base interactions energy: -380.176
where: short stacking energy: -165.738
Base-Backbone interact. energy: 0.476
local terms energy: -176.968442
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -47.979
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: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -541.912865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.912865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.649355 (E_RNA)
where:
Base-Base interactions energy: -377.329
where: short stacking energy: -155.758
Base-Backbone interact. energy: 0.024
local terms energy: -165.343645
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -43.243
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -517.328079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.328079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.784085 (E_RNA)
where:
Base-Base interactions energy: -351.472
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.447
local terms energy: -165.864606
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -512.699666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.699666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.351083 (E_RNA)
where:
Base-Base interactions energy: -355.153
where: short stacking energy: -140.163
Base-Backbone interact. energy: -1.019
local terms energy: -157.178515
where:
bonds (distance) C4'-P energy: -30.989
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -39.575
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: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -482.129107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.129107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.777500 (E_RNA)
where:
Base-Base interactions energy: -325.999
where: short stacking energy: -130.933
Base-Backbone interact. energy: 0.837
local terms energy: -157.615637
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -29.352
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: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -491.681179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.681179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.590670 (E_RNA)
where:
Base-Base interactions energy: -344.227
where: short stacking energy: -126.782
Base-Backbone interact. energy: -0.246
local terms energy: -148.116960
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -37.786
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -496.497418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.497418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.496338 (E_RNA)
where:
Base-Base interactions energy: -338.042
where: short stacking energy: -137.899
Base-Backbone interact. energy: -0.413
local terms energy: -159.041588
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -38.343
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: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -464.172827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.172827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.474232 (E_RNA)
where:
Base-Base interactions energy: -323.070
where: short stacking energy: -130.711
Base-Backbone interact. energy: -1.053
local terms energy: -140.351102
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -35.203
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: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -413.676992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.676992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.733047 (E_RNA)
where:
Base-Base interactions energy: -286.364
where: short stacking energy: -117.042
Base-Backbone interact. energy: -0.452
local terms energy: -126.916948
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -33.513
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: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -442.697283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.697283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.204408 (E_RNA)
where:
Base-Base interactions energy: -321.777
where: short stacking energy: -135.962
Base-Backbone interact. energy: -0.517
local terms energy: -120.910542
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -34.056
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: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -554.169618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.169618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.203123 (E_RNA)
where:
Base-Base interactions energy: -382.456
where: short stacking energy: -161.132
Base-Backbone interact. energy: -0.681
local terms energy: -171.065768
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -49.315
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: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -544.889716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.889716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.451171 (E_RNA)
where:
Base-Base interactions energy: -380.120
where: short stacking energy: -152.870
Base-Backbone interact. energy: -0.817
local terms energy: -164.514410
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -46.070
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -541.880858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.880858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.845957 (E_RNA)
where:
Base-Base interactions energy: -357.811
where: short stacking energy: -150.894
Base-Backbone interact. energy: -0.643
local terms energy: -184.391924
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -40.004
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -45.427
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -510.025095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.025095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.329551 (E_RNA)
where:
Base-Base interactions energy: -350.045
where: short stacking energy: -145.392
Base-Backbone interact. energy: -0.296
local terms energy: -159.988534
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -38.273
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -500.158597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.158597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.609059 (E_RNA)
where:
Base-Base interactions energy: -358.755
where: short stacking energy: -135.013
Base-Backbone interact. energy: -1.514
local terms energy: -140.340002
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -40.012
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -475.741717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.741717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.492490 (E_RNA)
where:
Base-Base interactions energy: -331.160
where: short stacking energy: -134.808
Base-Backbone interact. energy: -0.320
local terms energy: -145.011962
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -30.980
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: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -452.400687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.400687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.052548 (E_RNA)
where:
Base-Base interactions energy: -309.238
where: short stacking energy: -121.301
Base-Backbone interact. energy: -1.045
local terms energy: -142.769321
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -474.688308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.688308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.140966 (E_RNA)
where:
Base-Base interactions energy: -321.448
where: short stacking energy: -123.688
Base-Backbone interact. energy: 4.739
local terms energy: -158.432007
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -39.615
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -441.859038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.859038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.391735 (E_RNA)
where:
Base-Base interactions energy: -302.261
where: short stacking energy: -109.223
Base-Backbone interact. energy: -0.118
local terms energy: -140.013079
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -28.170
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -423.356077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.356077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.789642 (E_RNA)
where:
Base-Base interactions energy: -311.082
where: short stacking energy: -121.862
Base-Backbone interact. energy: -1.090
local terms energy: -111.617878
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -28.292
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: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -534.655667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.655667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.955638 (E_RNA)
where:
Base-Base interactions energy: -366.629
where: short stacking energy: -149.399
Base-Backbone interact. energy: -0.158
local terms energy: -168.169483
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -41.886
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: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -543.160484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.160484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.490365 (E_RNA)
where:
Base-Base interactions energy: -373.161
where: short stacking energy: -162.115
Base-Backbone interact. energy: -0.999
local terms energy: -169.330433
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -43.947
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -540.646531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.646531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.085196 (E_RNA)
where:
Base-Base interactions energy: -368.238
where: short stacking energy: -156.267
Base-Backbone interact. energy: -1.447
local terms energy: -171.400650
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -40.567
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -47.552
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: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -516.979296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.979296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.383987 (E_RNA)
where:
Base-Base interactions energy: -354.119
where: short stacking energy: -138.988
Base-Backbone interact. energy: -0.208
local terms energy: -163.057299
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -41.059
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -502.667185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.667185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.046102 (E_RNA)
where:
Base-Base interactions energy: -345.834
where: short stacking energy: -139.172
Base-Backbone interact. energy: -0.181
local terms energy: -157.032000
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -39.107
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -497.484979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.484979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.775102 (E_RNA)
where:
Base-Base interactions energy: -353.252
where: short stacking energy: -139.262
Base-Backbone interact. energy: -0.435
local terms energy: -144.087573
where:
bonds (distance) C4'-P energy: -32.087
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -34.428
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: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -468.273444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.273444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.751272 (E_RNA)
where:
Base-Base interactions energy: -327.585
where: short stacking energy: -115.544
Base-Backbone interact. energy: -0.163
local terms energy: -141.002486
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -29.985
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: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -458.054575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.054575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.583338 (E_RNA)
where:
Base-Base interactions energy: -324.293
where: short stacking energy: -115.245
Base-Backbone interact. energy: 0.076
local terms energy: -134.365932
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -33.454
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: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -455.489720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.489720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.026153 (E_RNA)
where:
Base-Base interactions energy: -318.279
where: short stacking energy: -120.591
Base-Backbone interact. energy: -0.267
local terms energy: -137.480130
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -32.407
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: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -413.174134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.174134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.299354 (E_RNA)
where:
Base-Base interactions energy: -287.609
where: short stacking energy: -106.306
Base-Backbone interact. energy: -0.829
local terms energy: -125.860928
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -28.182
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -555.268697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.268697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.679568 (E_RNA)
where:
Base-Base interactions energy: -379.060
where: short stacking energy: -155.327
Base-Backbone interact. energy: -0.600
local terms energy: -176.018704
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -40.256
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -44.415
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: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -539.741230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.741230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.007691 (E_RNA)
where:
Base-Base interactions energy: -377.155
where: short stacking energy: -152.315
Base-Backbone interact. energy: 2.423
local terms energy: -165.276052
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -41.294
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -538.545040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.545040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.543950 (E_RNA)
where:
Base-Base interactions energy: -373.264
where: short stacking energy: -158.217
Base-Backbone interact. energy: -0.582
local terms energy: -165.698076
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -47.107
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -525.676576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.676576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.535787 (E_RNA)
where:
Base-Base interactions energy: -366.151
where: short stacking energy: -141.941
Base-Backbone interact. energy: -0.324
local terms energy: -160.060844
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -42.446
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: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -494.277341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.277341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.417407 (E_RNA)
where:
Base-Base interactions energy: -343.831
where: short stacking energy: -144.308
Base-Backbone interact. energy: -0.568
local terms energy: -150.018769
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -34.387
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -490.248217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.248217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.556465 (E_RNA)
where:
Base-Base interactions energy: -330.961
where: short stacking energy: -128.082
Base-Backbone interact. energy: -0.522
local terms energy: -159.073339
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -35.208
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: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -473.414708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.414708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.935185 (E_RNA)
where:
Base-Base interactions energy: -326.819
where: short stacking energy: -137.266
Base-Backbone interact. energy: -0.475
local terms energy: -146.640553
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -39.069
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: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -462.506133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.506133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.273204 (E_RNA)
where:
Base-Base interactions energy: -323.288
where: short stacking energy: -128.660
Base-Backbone interact. energy: 1.179
local terms energy: -141.164335
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -37.507
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: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -444.647140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.647140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.059594 (E_RNA)
where:
Base-Base interactions energy: -317.238
where: short stacking energy: -121.124
Base-Backbone interact. energy: 1.208
local terms energy: -129.029196
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -29.233
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -440.570671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.570671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.348793 (E_RNA)
where:
Base-Base interactions energy: -307.493
where: short stacking energy: -120.309
Base-Backbone interact. energy: 2.633
local terms energy: -136.488153
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -30.672
Dist. restrs. and SS energy: 0.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -558.204042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.204042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.703040 (E_RNA)
where:
Base-Base interactions energy: -382.155
where: short stacking energy: -160.832
Base-Backbone interact. energy: -1.221
local terms energy: -175.327425
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -48.592
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -544.080897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.080897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.033409 (E_RNA)
where:
Base-Base interactions energy: -377.299
where: short stacking energy: -140.924
Base-Backbone interact. energy: -1.821
local terms energy: -165.913528
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -38.966
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -526.063088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.063088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.577902 (E_RNA)
where:
Base-Base interactions energy: -376.424
where: short stacking energy: -156.194
Base-Backbone interact. energy: -1.232
local terms energy: -148.921581
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -41.188
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: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -512.910991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.910991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.408412 (E_RNA)
where:
Base-Base interactions energy: -357.791
where: short stacking energy: -143.931
Base-Backbone interact. energy: 1.374
local terms energy: -156.991112
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -39.532
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: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -471.062708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.062708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.774827 (E_RNA)
where:
Base-Base interactions energy: -310.533
where: short stacking energy: -119.230
Base-Backbone interact. energy: -0.462
local terms energy: -160.779612
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -30.699
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: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -503.386986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.386986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.908826 (E_RNA)
where:
Base-Base interactions energy: -353.765
where: short stacking energy: -140.201
Base-Backbone interact. energy: -0.236
local terms energy: -149.908007
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -28.126
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -38.336
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: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -468.594381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.594381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.771219 (E_RNA)
where:
Base-Base interactions energy: -331.941
where: short stacking energy: -129.627
Base-Backbone interact. energy: -0.147
local terms energy: -136.683432
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -34.059
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: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -475.472331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.472331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.679472 (E_RNA)
where:
Base-Base interactions energy: -332.190
where: short stacking energy: -132.314
Base-Backbone interact. energy: -1.433
local terms energy: -143.056802
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -34.717
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -428.822878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.822878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.790508 (E_RNA)
where:
Base-Base interactions energy: -304.500
where: short stacking energy: -103.873
Base-Backbone interact. energy: -0.073
local terms energy: -125.217346
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -29.003
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -457.841068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.841068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.664720 (E_RNA)
where:
Base-Base interactions energy: -313.165
where: short stacking energy: -122.981
Base-Backbone interact. energy: -0.713
local terms energy: -144.786444
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -33.386
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: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -554.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.457125 (E_RNA)
where:
Base-Base interactions energy: -382.469
where: short stacking energy: -160.282
Base-Backbone interact. energy: -0.647
local terms energy: -172.340955
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -43.524
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -551.658967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.658967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.583237 (E_RNA)
where:
Base-Base interactions energy: -381.178
where: short stacking energy: -152.408
Base-Backbone interact. energy: -0.504
local terms energy: -170.901357
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -45.175
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -534.094051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.094051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.408733 (E_RNA)
where:
Base-Base interactions energy: -368.881
where: short stacking energy: -151.111
Base-Backbone interact. energy: 0.352
local terms energy: -165.879950
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -46.634
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: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -510.207123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.207123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.255191 (E_RNA)
where:
Base-Base interactions energy: -357.184
where: short stacking energy: -141.986
Base-Backbone interact. energy: -0.690
local terms energy: -152.381039
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -39.842
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: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -507.588396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.588396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.333468 (E_RNA)
where:
Base-Base interactions energy: -354.313
where: short stacking energy: -145.243
Base-Backbone interact. energy: -1.871
local terms energy: -152.148940
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -33.854
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -40.006
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -472.957812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.957812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.532669 (E_RNA)
where:
Base-Base interactions energy: -337.376
where: short stacking energy: -138.498
Base-Backbone interact. energy: 0.641
local terms energy: -136.797638
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -38.731
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -466.451056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.451056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.849830 (E_RNA)
where:
Base-Base interactions energy: -327.650
where: short stacking energy: -126.702
Base-Backbone interact. energy: 2.402
local terms energy: -141.601319
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -31.143
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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -455.250140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.250140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.690108 (E_RNA)
where:
Base-Base interactions energy: -320.256
where: short stacking energy: -132.764
Base-Backbone interact. energy: -0.171
local terms energy: -135.263023
where:
bonds (distance) C4'-P energy: -28.732
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -34.327
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: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -442.909551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.316797 (E_RNA)
where:
Base-Base interactions energy: -304.459
where: short stacking energy: -115.497
Base-Backbone interact. energy: 0.201
local terms energy: -139.058482
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -33.997
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -25.112
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: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -419.955874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.955874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.438660 (E_RNA)
where:
Base-Base interactions energy: -294.076
where: short stacking energy: -114.526
Base-Backbone interact. energy: -0.751
local terms energy: -125.611474
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -32.482
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -32.635
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: 287
Temperature: 0.900000
Total energy: -546.283420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.283420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.736425 (E_RNA)
where:
Base-Base interactions energy: -368.015
where: short stacking energy: -145.364
Base-Backbone interact. energy: -1.165
local terms energy: -177.556966
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -39.410
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -41.766
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -539.057892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.057892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.434172 (E_RNA)
where:
Base-Base interactions energy: -380.133
where: short stacking energy: -159.836
Base-Backbone interact. energy: -0.857
local terms energy: -158.444251
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -542.322060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.322060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.606724 (E_RNA)
where:
Base-Base interactions energy: -388.559
where: short stacking energy: -156.304
Base-Backbone interact. energy: -0.518
local terms energy: -153.530247
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -39.603
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: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -507.471070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.471070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.986206 (E_RNA)
where:
Base-Base interactions energy: -347.816
where: short stacking energy: -142.889
Base-Backbone interact. energy: 1.368
local terms energy: -161.537907
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -37.091
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -42.274
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -519.345183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.345183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.952080 (E_RNA)
where:
Base-Base interactions energy: -358.481
where: short stacking energy: -132.911
Base-Backbone interact. energy: -1.339
local terms energy: -160.132485
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -37.312
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -495.275298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.275298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.944485 (E_RNA)
where:
Base-Base interactions energy: -352.287
where: short stacking energy: -149.043
Base-Backbone interact. energy: 0.088
local terms energy: -143.745313
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -43.566
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -455.282701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.282701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.677485 (E_RNA)
where:
Base-Base interactions energy: -316.948
where: short stacking energy: -121.289
Base-Backbone interact. energy: 0.367
local terms energy: -139.096372
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -34.643
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: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -444.831039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.831039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.940599 (E_RNA)
where:
Base-Base interactions energy: -315.335
where: short stacking energy: -120.222
Base-Backbone interact. energy: -0.017
local terms energy: -130.588720
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -29.796
Dist. restrs. and SS energy: 1.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -410.679078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.679078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.181769 (E_RNA)
where:
Base-Base interactions energy: -285.370
where: short stacking energy: -109.009
Base-Backbone interact. energy: -0.938
local terms energy: -124.873400
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -27.813
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -422.751008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.751008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.152495 (E_RNA)
where:
Base-Base interactions energy: -302.440
where: short stacking energy: -127.095
Base-Backbone interact. energy: 0.223
local terms energy: -121.936070
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -28.528
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: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -550.232717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.232717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.562480 (E_RNA)
where:
Base-Base interactions energy: -377.429
where: short stacking energy: -152.930
Base-Backbone interact. energy: -1.122
local terms energy: -172.010693
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -41.232
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: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -531.466858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.466858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.696406 (E_RNA)
where:
Base-Base interactions energy: -374.799
where: short stacking energy: -146.925
Base-Backbone interact. energy: -1.347
local terms energy: -155.550450
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: -39.684
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -509.985869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.985869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.396735 (E_RNA)
where:
Base-Base interactions energy: -354.395
where: short stacking energy: -142.729
Base-Backbone interact. energy: -0.809
local terms energy: -155.192490
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: -42.416
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: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -532.272017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.272017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.865438 (E_RNA)
where:
Base-Base interactions energy: -361.714
where: short stacking energy: -147.798
Base-Backbone interact. energy: -1.011
local terms energy: -170.139560
where:
bonds (distance) C4'-P energy: -37.614
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -41.493
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: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -512.792726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.792726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.290666 (E_RNA)
where:
Base-Base interactions energy: -355.756
where: short stacking energy: -136.953
Base-Backbone interact. energy: -0.250
local terms energy: -157.284225
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -43.198
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: 6, replica: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -485.919646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.174291 (E_RNA)
where:
Base-Base interactions energy: -344.522
where: short stacking energy: -151.171
Base-Backbone interact. energy: -0.548
local terms energy: -141.104023
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -39.175
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -462.484007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.484007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.420472 (E_RNA)
where:
Base-Base interactions energy: -327.629
where: short stacking energy: -131.123
Base-Backbone interact. energy: 1.163
local terms energy: -136.955090
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -28.281
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -463.923446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.923446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.476180 (E_RNA)
where:
Base-Base interactions energy: -332.478
where: short stacking energy: -130.932
Base-Backbone interact. energy: -0.278
local terms energy: -134.720576
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -35.971
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 3.553 (S_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: 288
Temperature: 1.300000
Total energy: -422.077041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.077041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.761187 (E_RNA)
where:
Base-Base interactions energy: -292.680
where: short stacking energy: -106.132
Base-Backbone interact. energy: 0.131
local terms energy: -136.211947
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 6.684 (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: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -407.020291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.020291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.925399 (E_RNA)
where:
Base-Base interactions energy: -284.639
where: short stacking energy: -113.520
Base-Backbone interact. energy: 3.557
local terms energy: -126.842821
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -31.383
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -565.770218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.770218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.843155 (E_RNA)
where:
Base-Base interactions energy: -385.557
where: short stacking energy: -155.908
Base-Backbone interact. energy: -0.870
local terms energy: -180.415660
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 1.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -544.397037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.397037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.970062 (E_RNA)
where:
Base-Base interactions energy: -378.931
where: short stacking energy: -164.314
Base-Backbone interact. energy: 0.322
local terms energy: -166.361140
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -36.557
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -44.957
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: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -534.288834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.288834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.709187 (E_RNA)
where:
Base-Base interactions energy: -376.239
where: short stacking energy: -158.291
Base-Backbone interact. energy: -0.720
local terms energy: -157.749559
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -40.672
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: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -510.295470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.295470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.224563 (E_RNA)
where:
Base-Base interactions energy: -360.578
where: short stacking energy: -142.233
Base-Backbone interact. energy: -1.115
local terms energy: -149.530686
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -39.305
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -503.482984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.482984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.396952 (E_RNA)
where:
Base-Base interactions energy: -344.875
where: short stacking energy: -144.222
Base-Backbone interact. energy: 0.667
local terms energy: -160.189244
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -42.154
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -497.510839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.510839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.391733 (E_RNA)
where:
Base-Base interactions energy: -340.431
where: short stacking energy: -135.239
Base-Backbone interact. energy: -1.370
local terms energy: -156.590790
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -479.622126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.622126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.291552 (E_RNA)
where:
Base-Base interactions energy: -338.552
where: short stacking energy: -133.949
Base-Backbone interact. energy: -1.854
local terms energy: -139.885286
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -40.113
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: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -430.652335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.652335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.221669 (E_RNA)
where:
Base-Base interactions energy: -304.893
where: short stacking energy: -120.881
Base-Backbone interact. energy: -0.147
local terms energy: -129.182089
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -448.291970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.291970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.532057 (E_RNA)
where:
Base-Base interactions energy: -312.019
where: short stacking energy: -115.166
Base-Backbone interact. energy: -1.016
local terms energy: -136.496889
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -31.503
Dist. restrs. and SS energy: 1.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -411.785219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.785219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.948155 (E_RNA)
where:
Base-Base interactions energy: -276.311
where: short stacking energy: -100.674
Base-Backbone interact. energy: 0.481
local terms energy: -136.117677
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -28.937
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -541.606866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.606866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.018855 (E_RNA)
where:
Base-Base interactions energy: -368.661
where: short stacking energy: -153.344
Base-Backbone interact. energy: -1.072
local terms energy: -172.285469
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -43.761
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: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -546.068242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.068242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.493713 (E_RNA)
where:
Base-Base interactions energy: -374.997
where: short stacking energy: -161.578
Base-Backbone interact. energy: -0.792
local terms energy: -170.704700
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -45.213
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: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -542.217966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.217966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.938316 (E_RNA)
where:
Base-Base interactions energy: -369.214
where: short stacking energy: -146.011
Base-Backbone interact. energy: -0.243
local terms energy: -173.481787
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -45.068
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -505.796713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.796713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.153667 (E_RNA)
where:
Base-Base interactions energy: -348.260
where: short stacking energy: -134.939
Base-Backbone interact. energy: 0.357
local terms energy: -158.250557
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -36.834
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -493.533872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.533872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.169268 (E_RNA)
where:
Base-Base interactions energy: -337.106
where: short stacking energy: -131.010
Base-Backbone interact. energy: 0.469
local terms energy: -157.532036
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -32.844
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -39.591
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: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -502.199132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.199132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.472674 (E_RNA)
where:
Base-Base interactions energy: -341.806
where: short stacking energy: -135.436
Base-Backbone interact. energy: -0.199
local terms energy: -160.467145
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -30.196
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -44.984
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: 290
Temperature: 1.200000
Total energy: -471.314171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.314171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.561217 (E_RNA)
where:
Base-Base interactions energy: -333.947
where: short stacking energy: -127.632
Base-Backbone interact. energy: -0.065
local terms energy: -137.548662
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -33.176
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -471.111036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.111036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.699532 (E_RNA)
where:
Base-Base interactions energy: -322.791
where: short stacking energy: -116.452
Base-Backbone interact. energy: -2.499
local terms energy: -146.410308
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -36.911
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: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -433.710488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.710488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.396001 (E_RNA)
where:
Base-Base interactions energy: -298.105
where: short stacking energy: -117.598
Base-Backbone interact. energy: 0.515
local terms energy: -136.805442
where:
bonds (distance) C4'-P energy: -35.143
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -27.628
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: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -425.604441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.604441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.621963 (E_RNA)
where:
Base-Base interactions energy: -303.696
where: short stacking energy: -112.710
Base-Backbone interact. energy: -0.023
local terms energy: -125.902373
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -32.043
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 4.018 (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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -546.881543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.881543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.015645 (E_RNA)
where:
Base-Base interactions energy: -376.301
where: short stacking energy: -153.697
Base-Backbone interact. energy: -2.206
local terms energy: -168.508312
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -40.525
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -542.198267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.198267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.976283 (E_RNA)
where:
Base-Base interactions energy: -380.534
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.558
local terms energy: -161.883920
where:
bonds (distance) C4'-P energy: -29.512
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -42.301
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -524.707686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.707686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.218047 (E_RNA)
where:
Base-Base interactions energy: -359.621
where: short stacking energy: -142.677
Base-Backbone interact. energy: -0.931
local terms energy: -164.665668
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -41.475
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: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -507.419955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.419955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.996138 (E_RNA)
where:
Base-Base interactions energy: -347.837
where: short stacking energy: -154.749
Base-Backbone interact. energy: -0.629
local terms energy: -159.530155
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -40.110
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: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -479.955619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.955619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.054070 (E_RNA)
where:
Base-Base interactions energy: -338.515
where: short stacking energy: -134.263
Base-Backbone interact. energy: -0.258
local terms energy: -141.281565
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -30.413
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: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -496.577512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.577512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.867929 (E_RNA)
where:
Base-Base interactions energy: -345.475
where: short stacking energy: -136.192
Base-Backbone interact. energy: 0.687
local terms energy: -152.079413
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -41.916
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -446.331764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.331764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.110657 (E_RNA)
where:
Base-Base interactions energy: -305.775
where: short stacking energy: -127.481
Base-Backbone interact. energy: -0.276
local terms energy: -141.059576
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -33.663
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -472.561496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.561496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.202550 (E_RNA)
where:
Base-Base interactions energy: -326.966
where: short stacking energy: -129.174
Base-Backbone interact. energy: 1.336
local terms energy: -148.572352
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -458.011671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.011671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.248683 (E_RNA)
where:
Base-Base interactions energy: -323.243
where: short stacking energy: -129.419
Base-Backbone interact. energy: 4.704
local terms energy: -139.709113
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -40.203
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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -435.915377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.915377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.463782 (E_RNA)
where:
Base-Base interactions energy: -295.704
where: short stacking energy: -115.211
Base-Backbone interact. energy: -1.338
local terms energy: -139.421506
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -559.986874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.986874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.022522 (E_RNA)
where:
Base-Base interactions energy: -382.212
where: short stacking energy: -163.653
Base-Backbone interact. energy: -0.704
local terms energy: -177.106684
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -46.506
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: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -535.207408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.207408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.026423 (E_RNA)
where:
Base-Base interactions energy: -365.428
where: short stacking energy: -139.617
Base-Backbone interact. energy: -1.086
local terms energy: -169.512223
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -34.784
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -533.980812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.980812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.108119 (E_RNA)
where:
Base-Base interactions energy: -371.874
where: short stacking energy: -155.659
Base-Backbone interact. energy: 0.242
local terms energy: -162.475970
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -45.469
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: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -526.593700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.593700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.178919 (E_RNA)
where:
Base-Base interactions energy: -366.515
where: short stacking energy: -148.098
Base-Backbone interact. energy: -0.869
local terms energy: -159.794274
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -501.910303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.910303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.071581 (E_RNA)
where:
Base-Base interactions energy: -353.739
where: short stacking energy: -150.175
Base-Backbone interact. energy: -1.612
local terms energy: -146.719957
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -36.439
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: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -491.785714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.785714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.993252 (E_RNA)
where:
Base-Base interactions energy: -346.215
where: short stacking energy: -135.574
Base-Backbone interact. energy: -0.589
local terms energy: -145.189637
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -34.602
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: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -475.313079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.313079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.786554 (E_RNA)
where:
Base-Base interactions energy: -337.923
where: short stacking energy: -143.230
Base-Backbone interact. energy: 2.520
local terms energy: -141.382691
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -31.732
Dist. restrs. and SS energy: 1.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -465.033932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.033932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.774627 (E_RNA)
where:
Base-Base interactions energy: -325.600
where: short stacking energy: -134.955
Base-Backbone interact. energy: -0.533
local terms energy: -139.641817
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -45.010
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: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -447.353042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.353042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.596671 (E_RNA)
where:
Base-Base interactions energy: -314.978
where: short stacking energy: -122.337
Base-Backbone interact. energy: -0.058
local terms energy: -132.560788
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -28.916
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -423.869798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.869798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.168225 (E_RNA)
where:
Base-Base interactions energy: -286.039
where: short stacking energy: -113.337
Base-Backbone interact. energy: -1.587
local terms energy: -136.541780
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -30.077
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: 293
Temperature: 0.900000
Total energy: -546.832536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.832536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.089179 (E_RNA)
where:
Base-Base interactions energy: -373.144
where: short stacking energy: -160.678
Base-Backbone interact. energy: -0.511
local terms energy: -174.434278
where:
bonds (distance) C4'-P energy: -36.383
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -44.881
Dist. restrs. and SS energy: 1.257 (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: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -537.173861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.173861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.334877 (E_RNA)
where:
Base-Base interactions energy: -369.643
where: short stacking energy: -158.635
Base-Backbone interact. energy: 0.700
local terms energy: -168.391777
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -41.318
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: 293
Temperature: 1.000000
Total energy: -536.516898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.516898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.736540 (E_RNA)
where:
Base-Base interactions energy: -378.541
where: short stacking energy: -157.877
Base-Backbone interact. energy: 1.115
local terms energy: -159.310416
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -40.090
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: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -512.030574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.030574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.665578 (E_RNA)
where:
Base-Base interactions energy: -364.377
where: short stacking energy: -141.923
Base-Backbone interact. energy: -1.089
local terms energy: -147.199309
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -38.057
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: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -500.533450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.533450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.266658 (E_RNA)
where:
Base-Base interactions energy: -349.898
where: short stacking energy: -142.083
Base-Backbone interact. energy: -1.560
local terms energy: -149.808948
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -33.445
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: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -488.099754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.099754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.535835 (E_RNA)
where:
Base-Base interactions energy: -337.671
where: short stacking energy: -143.408
Base-Backbone interact. energy: 0.154
local terms energy: -151.019456
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -42.509
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -455.499685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.153332 (E_RNA)
where:
Base-Base interactions energy: -320.122
where: short stacking energy: -121.778
Base-Backbone interact. energy: -0.423
local terms energy: -135.608176
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -35.760
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: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -445.454805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.454805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.161930 (E_RNA)
where:
Base-Base interactions energy: -322.399
where: short stacking energy: -123.912
Base-Backbone interact. energy: 1.746
local terms energy: -125.508687
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -32.305
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: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -447.296151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.296151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.735286 (E_RNA)
where:
Base-Base interactions energy: -312.345
where: short stacking energy: -111.680
Base-Backbone interact. energy: -1.822
local terms energy: -133.568740
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -32.771
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: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -414.704286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.704286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.290456 (E_RNA)
where:
Base-Base interactions energy: -291.940
where: short stacking energy: -112.982
Base-Backbone interact. energy: 1.681
local terms energy: -126.030793
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -29.659
Dist. restrs. and SS energy: 1.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -552.795684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.795684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.929568 (E_RNA)
where:
Base-Base interactions energy: -375.531
where: short stacking energy: -161.642
Base-Backbone interact. energy: -1.157
local terms energy: -176.241861
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -38.973
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -47.977
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: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -528.828335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.828335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.365596 (E_RNA)
where:
Base-Base interactions energy: -356.187
where: short stacking energy: -151.359
Base-Backbone interact. energy: -0.587
local terms energy: -172.591599
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -44.719
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: 294
Temperature: 1.000000
Total energy: -520.447459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.447459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.980533 (E_RNA)
where:
Base-Base interactions energy: -355.026
where: short stacking energy: -141.554
Base-Backbone interact. energy: -1.119
local terms energy: -164.835373
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -41.669
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: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -503.169538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.169538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.949512 (E_RNA)
where:
Base-Base interactions energy: -356.231
where: short stacking energy: -137.255
Base-Backbone interact. energy: -0.188
local terms energy: -147.530021
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -38.819
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -507.903537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.903537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.790481 (E_RNA)
where:
Base-Base interactions energy: -334.691
where: short stacking energy: -125.419
Base-Backbone interact. energy: 0.802
local terms energy: -174.901802
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -39.802
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -38.781
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: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -496.849778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.849778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.697135 (E_RNA)
where:
Base-Base interactions energy: -341.330
where: short stacking energy: -148.030
Base-Backbone interact. energy: -0.632
local terms energy: -155.734832
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -38.961
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: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -454.568214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.568214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.204023 (E_RNA)
where:
Base-Base interactions energy: -293.977
where: short stacking energy: -115.646
Base-Backbone interact. energy: -1.300
local terms energy: -159.926354
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -36.286
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -33.896
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: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -443.786925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.786925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.478880 (E_RNA)
where:
Base-Base interactions energy: -301.459
where: short stacking energy: -118.714
Base-Backbone interact. energy: -1.128
local terms energy: -141.892597
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -33.778
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: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -450.432215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.432215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.349558 (E_RNA)
where:
Base-Base interactions energy: -308.500
where: short stacking energy: -124.887
Base-Backbone interact. energy: -1.249
local terms energy: -142.599874
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -35.274
Dist. restrs. and SS energy: 1.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -415.835471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.835471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.047351 (E_RNA)
where:
Base-Base interactions energy: -295.258
where: short stacking energy: -107.015
Base-Backbone interact. energy: 2.034
local terms energy: -122.823359
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -27.689
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: 295
Temperature: 0.900000
Total energy: -550.766649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.766649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.401092 (E_RNA)
where:
Base-Base interactions energy: -374.138
where: short stacking energy: -155.270
Base-Backbone interact. energy: -0.485
local terms energy: -176.778205
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -43.431
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -544.483454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.483454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.955228 (E_RNA)
where:
Base-Base interactions energy: -379.715
where: short stacking energy: -152.750
Base-Backbone interact. energy: -1.288
local terms energy: -163.951797
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -44.167
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: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -515.094955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.094955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.430475 (E_RNA)
where:
Base-Base interactions energy: -358.847
where: short stacking energy: -139.179
Base-Backbone interact. energy: -0.408
local terms energy: -156.175104
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -38.917
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: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -525.546248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.546248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.498848 (E_RNA)
where:
Base-Base interactions energy: -373.593
where: short stacking energy: -146.535
Base-Backbone interact. energy: -0.092
local terms energy: -152.812991
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -46.144
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -493.456936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.456936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.292022 (E_RNA)
where:
Base-Base interactions energy: -337.899
where: short stacking energy: -130.444
Base-Backbone interact. energy: 0.329
local terms energy: -156.721846
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -36.131
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -500.187684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.187684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.502544 (E_RNA)
where:
Base-Base interactions energy: -356.941
where: short stacking energy: -142.904
Base-Backbone interact. energy: 2.323
local terms energy: -145.884548
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -34.127
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: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -480.938466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.938466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.044423 (E_RNA)
where:
Base-Base interactions energy: -328.683
where: short stacking energy: -129.894
Base-Backbone interact. energy: 1.354
local terms energy: -153.715181
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -43.918
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: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -454.789731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.789731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.867929 (E_RNA)
where:
Base-Base interactions energy: -321.476
where: short stacking energy: -130.633
Base-Backbone interact. energy: 1.364
local terms energy: -140.755925
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -33.106
Dist. restrs. and SS energy: 6.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -420.730720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.730720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.999594 (E_RNA)
where:
Base-Base interactions energy: -292.257
where: short stacking energy: -107.362
Base-Backbone interact. energy: -0.699
local terms energy: -128.044186
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -29.678
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -433.702494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.702494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.227286 (E_RNA)
where:
Base-Base interactions energy: -317.517
where: short stacking energy: -115.127
Base-Backbone interact. energy: 1.985
local terms energy: -118.695806
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -24.117
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -560.428367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.428367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.738304 (E_RNA)
where:
Base-Base interactions energy: -383.675
where: short stacking energy: -147.697
Base-Backbone interact. energy: -1.099
local terms energy: -175.964380
where:
bonds (distance) C4'-P energy: -36.218
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -43.304
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -543.499972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.499972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.968266 (E_RNA)
where:
Base-Base interactions energy: -367.686
where: short stacking energy: -149.722
Base-Backbone interact. energy: -0.853
local terms energy: -175.429280
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -46.625
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: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -523.054779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.054779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.505139 (E_RNA)
where:
Base-Base interactions energy: -356.522
where: short stacking energy: -152.926
Base-Backbone interact. energy: -1.172
local terms energy: -165.810841
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -41.493
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: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -518.913473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.913473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.256653 (E_RNA)
where:
Base-Base interactions energy: -357.424
where: short stacking energy: -145.982
Base-Backbone interact. energy: -0.225
local terms energy: -161.607916
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -40.677
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: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -503.568075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.568075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.690048 (E_RNA)
where:
Base-Base interactions energy: -355.464
where: short stacking energy: -137.656
Base-Backbone interact. energy: -0.810
local terms energy: -147.415807
where:
bonds (distance) C4'-P energy: -35.533
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -35.938
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: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -485.706175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.706175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.635411 (E_RNA)
where:
Base-Base interactions energy: -341.093
where: short stacking energy: -130.688
Base-Backbone interact. energy: -0.430
local terms energy: -145.112413
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -30.362
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -32.833
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: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -465.786433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.786433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.169343 (E_RNA)
where:
Base-Base interactions energy: -312.021
where: short stacking energy: -121.985
Base-Backbone interact. energy: -0.320
local terms energy: -153.827704
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -31.442
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -454.897278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.897278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.165118 (E_RNA)
where:
Base-Base interactions energy: -312.783
where: short stacking energy: -112.958
Base-Backbone interact. energy: -0.650
local terms energy: -141.731432
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -37.560
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -429.130112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.130112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.460196 (E_RNA)
where:
Base-Base interactions energy: -301.025
where: short stacking energy: -111.443
Base-Backbone interact. energy: -0.942
local terms energy: -127.492416
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -30.222
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: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -424.334779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.334779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.105985 (E_RNA)
where:
Base-Base interactions energy: -285.167
where: short stacking energy: -101.270
Base-Backbone interact. energy: -0.599
local terms energy: -139.340240
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -557.626992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.626992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.728334 (E_RNA)
where:
Base-Base interactions energy: -384.750
where: short stacking energy: -159.357
Base-Backbone interact. energy: -2.335
local terms energy: -170.642630
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -49.177
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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -536.675749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.675749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.184844 (E_RNA)
where:
Base-Base interactions energy: -368.934
where: short stacking energy: -154.357
Base-Backbone interact. energy: -1.156
local terms energy: -167.094751
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -44.281
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: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -522.599408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.599408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.800202 (E_RNA)
where:
Base-Base interactions energy: -361.909
where: short stacking energy: -148.288
Base-Backbone interact. energy: -0.815
local terms energy: -160.076375
where:
bonds (distance) C4'-P energy: -36.823
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -41.134
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: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -520.539863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.539863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.733703 (E_RNA)
where:
Base-Base interactions energy: -365.006
where: short stacking energy: -147.985
Base-Backbone interact. energy: -0.273
local terms energy: -155.454057
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -42.154
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: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -507.167151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.167151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.677568 (E_RNA)
where:
Base-Base interactions energy: -356.223
where: short stacking energy: -136.367
Base-Backbone interact. energy: -0.511
local terms energy: -150.942931
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -38.795
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: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -500.398939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.398939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.768266 (E_RNA)
where:
Base-Base interactions energy: -334.925
where: short stacking energy: -142.658
Base-Backbone interact. energy: -0.352
local terms energy: -165.491142
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -41.148
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -487.879266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.879266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.290957 (E_RNA)
where:
Base-Base interactions energy: -345.131
where: short stacking energy: -133.094
Base-Backbone interact. energy: 1.830
local terms energy: -144.989353
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -40.740
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: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -456.954283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.954283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.549919 (E_RNA)
where:
Base-Base interactions energy: -308.861
where: short stacking energy: -108.503
Base-Backbone interact. energy: 0.974
local terms energy: -149.662545
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -36.203
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -429.459587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.459587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.851936 (E_RNA)
where:
Base-Base interactions energy: -302.967
where: short stacking energy: -108.970
Base-Backbone interact. energy: -0.831
local terms energy: -126.053751
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -25.028
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: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -437.820544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.820544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.992745 (E_RNA)
where:
Base-Base interactions energy: -303.857
where: short stacking energy: -123.691
Base-Backbone interact. energy: -0.544
local terms energy: -133.591191
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -28.391
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: 298
Temperature: 0.900000
Total energy: -552.366635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.366635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.104083 (E_RNA)
where:
Base-Base interactions energy: -380.527
where: short stacking energy: -158.164
Base-Backbone interact. energy: -0.934
local terms energy: -171.643158
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -42.327
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: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -540.815147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.815147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.738998 (E_RNA)
where:
Base-Base interactions energy: -368.886
where: short stacking energy: -149.514
Base-Backbone interact. energy: -0.960
local terms energy: -171.892438
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -40.387
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -40.172
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -524.614138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.614138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.336411 (E_RNA)
where:
Base-Base interactions energy: -362.069
where: short stacking energy: -141.961
Base-Backbone interact. energy: 0.700
local terms energy: -163.967287
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -37.803
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: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -499.944796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.944796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.609803 (E_RNA)
where:
Base-Base interactions energy: -340.639
where: short stacking energy: -142.149
Base-Backbone interact. energy: -0.482
local terms energy: -159.488815
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -502.553604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.553604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.349586 (E_RNA)
where:
Base-Base interactions energy: -348.087
where: short stacking energy: -141.651
Base-Backbone interact. energy: 1.498
local terms energy: -156.760108
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -40.841
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -490.114695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.114695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.679338 (E_RNA)
where:
Base-Base interactions energy: -331.898
where: short stacking energy: -129.160
Base-Backbone interact. energy: -1.715
local terms energy: -157.066488
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -33.219
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: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -471.115337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.115337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.470846 (E_RNA)
where:
Base-Base interactions energy: -325.039
where: short stacking energy: -132.085
Base-Backbone interact. energy: 3.186
local terms energy: -150.617720
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -455.196877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.196877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.369867 (E_RNA)
where:
Base-Base interactions energy: -321.538
where: short stacking energy: -126.045
Base-Backbone interact. energy: -0.353
local terms energy: -133.479458
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -35.834
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: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -430.274337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.274337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.086480 (E_RNA)
where:
Base-Base interactions energy: -294.327
where: short stacking energy: -111.027
Base-Backbone interact. energy: -0.771
local terms energy: -135.988246
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -27.235
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: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -418.627074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.627074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.525518 (E_RNA)
where:
Base-Base interactions energy: -292.921
where: short stacking energy: -112.425
Base-Backbone interact. energy: -0.473
local terms energy: -126.132355
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -24.948
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: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -549.054824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.054824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.302073 (E_RNA)
where:
Base-Base interactions energy: -378.023
where: short stacking energy: -150.967
Base-Backbone interact. energy: -0.787
local terms energy: -170.492512
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -549.180682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.180682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.591122 (E_RNA)
where:
Base-Base interactions energy: -384.661
where: short stacking energy: -169.550
Base-Backbone interact. energy: 0.742
local terms energy: -165.672213
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -45.673
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -530.299323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.299323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.481983 (E_RNA)
where:
Base-Base interactions energy: -363.298
where: short stacking energy: -153.158
Base-Backbone interact. energy: 0.008
local terms energy: -167.191572
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -45.449
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: 299
Temperature: 1.050000
Total energy: -505.568240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.568240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.495308 (E_RNA)
where:
Base-Base interactions energy: -342.990
where: short stacking energy: -136.867
Base-Backbone interact. energy: -0.669
local terms energy: -162.836270
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -40.729
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: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -508.236779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.236779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.571853 (E_RNA)
where:
Base-Base interactions energy: -342.087
where: short stacking energy: -134.515
Base-Backbone interact. energy: -0.518
local terms energy: -165.966744
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -36.170
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -41.707
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: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -493.524117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.524117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.761940 (E_RNA)
where:
Base-Base interactions energy: -336.465
where: short stacking energy: -143.148
Base-Backbone interact. energy: -1.247
local terms energy: -156.050362
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -37.832
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -455.010400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.010400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.614858 (E_RNA)
where:
Base-Base interactions energy: -314.845
where: short stacking energy: -119.857
Base-Backbone interact. energy: -0.829
local terms energy: -143.941145
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -33.745
Dist. restrs. and SS energy: 4.604 (S_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: 299
Temperature: 1.250000
Total energy: -429.317627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.317627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.753480 (E_RNA)
where:
Base-Base interactions energy: -293.308
where: short stacking energy: -114.626
Base-Backbone interact. energy: -1.062
local terms energy: -135.383928
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -23.327
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: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -467.233852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.233852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.862860 (E_RNA)
where:
Base-Base interactions energy: -325.881
where: short stacking energy: -121.243
Base-Backbone interact. energy: 0.525
local terms energy: -142.506324
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -33.353
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: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -454.534758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.534758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.762150 (E_RNA)
where:
Base-Base interactions energy: -318.279
where: short stacking energy: -135.443
Base-Backbone interact. energy: -1.365
local terms energy: -135.118173
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -36.373
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: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -550.469601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.469601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.671571 (E_RNA)
where:
Base-Base interactions energy: -384.876
where: short stacking energy: -160.764
Base-Backbone interact. energy: 0.244
local terms energy: -166.039547
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -41.741
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -542.319742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.319742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.444731 (E_RNA)
where:
Base-Base interactions energy: -381.181
where: short stacking energy: -152.420
Base-Backbone interact. energy: 0.763
local terms energy: -162.026735
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -41.297
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: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -532.544916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.544916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.888595 (E_RNA)
where:
Base-Base interactions energy: -374.220
where: short stacking energy: -155.274
Base-Backbone interact. energy: 1.562
local terms energy: -160.229897
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -44.766
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: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -502.402525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.402525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.620576 (E_RNA)
where:
Base-Base interactions energy: -338.471
where: short stacking energy: -149.506
Base-Backbone interact. energy: -1.176
local terms energy: -162.973867
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -45.164
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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -483.101263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.101263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.376122 (E_RNA)
where:
Base-Base interactions energy: -331.158
where: short stacking energy: -127.194
Base-Backbone interact. energy: -0.641
local terms energy: -151.577551
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -34.737
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -489.127137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.127137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.779465 (E_RNA)
where:
Base-Base interactions energy: -339.591
where: short stacking energy: -134.671
Base-Backbone interact. energy: 0.069
local terms energy: -150.257394
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 0.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -458.839277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.839277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.108880 (E_RNA)
where:
Base-Base interactions energy: -323.195
where: short stacking energy: -127.259
Base-Backbone interact. energy: 0.342
local terms energy: -140.256544
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -29.776
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 4.270 (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: 300
Temperature: 1.250000
Total energy: -440.132434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.132434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.336046 (E_RNA)
where:
Base-Base interactions energy: -315.835
where: short stacking energy: -118.842
Base-Backbone interact. energy: -1.167
local terms energy: -123.334314
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -30.387
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -454.816289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.816289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.173178 (E_RNA)
where:
Base-Base interactions energy: -317.038
where: short stacking energy: -121.256
Base-Backbone interact. energy: -1.020
local terms energy: -137.114979
where:
bonds (distance) C4'-P energy: -32.123
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -32.269
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: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -408.044858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.044858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.203142 (E_RNA)
where:
Base-Base interactions energy: -278.298
where: short stacking energy: -114.251
Base-Backbone interact. energy: 1.219
local terms energy: -132.123845
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -33.227
Dist. restrs. and SS energy: 1.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -547.883059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.883059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.527442 (E_RNA)
where:
Base-Base interactions energy: -374.227
where: short stacking energy: -160.278
Base-Backbone interact. energy: 0.725
local terms energy: -175.025832
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -545.345830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.345830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.711090 (E_RNA)
where:
Base-Base interactions energy: -387.478
where: short stacking energy: -150.512
Base-Backbone interact. energy: -0.795
local terms energy: -157.437487
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -43.986
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -511.616232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.616232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.048075 (E_RNA)
where:
Base-Base interactions energy: -348.146
where: short stacking energy: -139.648
Base-Backbone interact. energy: -0.482
local terms energy: -163.419839
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -35.902
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -37.650
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -496.764074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.764074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.254252 (E_RNA)
where:
Base-Base interactions energy: -345.379
where: short stacking energy: -138.292
Base-Backbone interact. energy: -1.941
local terms energy: -149.934615
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -35.910
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: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -485.128411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.128411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.269487 (E_RNA)
where:
Base-Base interactions energy: -340.971
where: short stacking energy: -140.753
Base-Backbone interact. energy: 0.733
local terms energy: -147.031614
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -499.335460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.335460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.667872 (E_RNA)
where:
Base-Base interactions energy: -346.050
where: short stacking energy: -135.145
Base-Backbone interact. energy: 0.920
local terms energy: -154.537741
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -37.125
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -442.184468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.184468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.305424 (E_RNA)
where:
Base-Base interactions energy: -309.020
where: short stacking energy: -116.855
Base-Backbone interact. energy: -1.064
local terms energy: -132.221695
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -28.484
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: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -417.267636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.267636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.403161 (E_RNA)
where:
Base-Base interactions energy: -274.509
where: short stacking energy: -107.341
Base-Backbone interact. energy: -0.575
local terms energy: -142.318859
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -29.957
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -462.186903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.186903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.886592 (E_RNA)
where:
Base-Base interactions energy: -325.695
where: short stacking energy: -129.546
Base-Backbone interact. energy: -0.402
local terms energy: -136.788873
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -35.998
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: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -442.164862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.164862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.264904 (E_RNA)
where:
Base-Base interactions energy: -300.233
where: short stacking energy: -116.603
Base-Backbone interact. energy: -0.620
local terms energy: -141.412710
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -34.973
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -559.058115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.058115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.515946 (E_RNA)
where:
Base-Base interactions energy: -385.258
where: short stacking energy: -158.850
Base-Backbone interact. energy: 1.000
local terms energy: -175.257576
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -44.721
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: 302
Temperature: 0.950000
Total energy: -546.331919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.331919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.733117 (E_RNA)
where:
Base-Base interactions energy: -360.741
where: short stacking energy: -150.390
Base-Backbone interact. energy: -2.366
local terms energy: -183.625852
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -46.968
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -504.696967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.696967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.963766 (E_RNA)
where:
Base-Base interactions energy: -343.162
where: short stacking energy: -141.513
Base-Backbone interact. energy: -0.006
local terms energy: -161.795040
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -27.719
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -509.697427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.697427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.130251 (E_RNA)
where:
Base-Base interactions energy: -356.771
where: short stacking energy: -145.375
Base-Backbone interact. energy: -0.475
local terms energy: -152.884012
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -43.408
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: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -516.918856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.918856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.408286 (E_RNA)
where:
Base-Base interactions energy: -366.699
where: short stacking energy: -146.046
Base-Backbone interact. energy: -0.852
local terms energy: -149.857177
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -41.594
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: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -481.065949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.065949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.769419 (E_RNA)
where:
Base-Base interactions energy: -339.743
where: short stacking energy: -128.057
Base-Backbone interact. energy: 0.886
local terms energy: -142.912083
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -36.171
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: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -420.215320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.215320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.575258 (E_RNA)
where:
Base-Base interactions energy: -273.643
where: short stacking energy: -104.039
Base-Backbone interact. energy: -0.227
local terms energy: -146.704725
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -29.951
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -447.947373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.947373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.121694 (E_RNA)
where:
Base-Base interactions energy: -305.920
where: short stacking energy: -121.799
Base-Backbone interact. energy: -1.105
local terms energy: -141.097042
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -30.890
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: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -439.050982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.050982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.356984 (E_RNA)
where:
Base-Base interactions energy: -312.607
where: short stacking energy: -111.182
Base-Backbone interact. energy: -0.284
local terms energy: -126.465623
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -29.549
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: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -447.431263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.431263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.490236 (E_RNA)
where:
Base-Base interactions energy: -307.083
where: short stacking energy: -126.281
Base-Backbone interact. energy: -0.240
local terms energy: -141.166977
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -27.023
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: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -558.560696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.560696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.859434 (E_RNA)
where:
Base-Base interactions energy: -376.536
where: short stacking energy: -153.608
Base-Backbone interact. energy: -0.730
local terms energy: -181.593456
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -47.418
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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -523.747757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.747757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.217779 (E_RNA)
where:
Base-Base interactions energy: -354.443
where: short stacking energy: -152.000
Base-Backbone interact. energy: 0.098
local terms energy: -169.872429
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -48.104
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -525.061115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.061115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.239935 (E_RNA)
where:
Base-Base interactions energy: -363.503
where: short stacking energy: -149.526
Base-Backbone interact. energy: -0.358
local terms energy: -161.378093
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -43.351
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -514.837580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.837580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.388680 (E_RNA)
where:
Base-Base interactions energy: -357.409
where: short stacking energy: -138.092
Base-Backbone interact. energy: -0.561
local terms energy: -157.419155
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -40.423
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: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -503.205822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.205822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.030339 (E_RNA)
where:
Base-Base interactions energy: -338.164
where: short stacking energy: -135.415
Base-Backbone interact. energy: -1.602
local terms energy: -164.264165
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -43.990
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: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -483.818806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.818806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.629359 (E_RNA)
where:
Base-Base interactions energy: -341.020
where: short stacking energy: -139.267
Base-Backbone interact. energy: -3.536
local terms energy: -140.073951
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -38.209
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -446.918030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.918030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.029352 (E_RNA)
where:
Base-Base interactions energy: -304.843
where: short stacking energy: -124.151
Base-Backbone interact. energy: -0.905
local terms energy: -141.281310
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -431.688068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.688068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.897354 (E_RNA)
where:
Base-Base interactions energy: -306.193
where: short stacking energy: -105.328
Base-Backbone interact. energy: 0.174
local terms energy: -125.877776
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -23.998
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: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -448.619325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.619325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.190765 (E_RNA)
where:
Base-Base interactions energy: -304.034
where: short stacking energy: -116.108
Base-Backbone interact. energy: -0.361
local terms energy: -144.795644
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -32.828
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -418.150673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.543110 (E_RNA)
where:
Base-Base interactions energy: -285.788
where: short stacking energy: -109.838
Base-Backbone interact. energy: 0.947
local terms energy: -133.702086
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -24.544
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: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -545.611119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.611119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.724355 (E_RNA)
where:
Base-Base interactions energy: -385.178
where: short stacking energy: -156.337
Base-Backbone interact. energy: 0.774
local terms energy: -161.320049
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -41.834
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -543.960010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.960010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.825782 (E_RNA)
where:
Base-Base interactions energy: -368.893
where: short stacking energy: -149.825
Base-Backbone interact. energy: -1.973
local terms energy: -173.960139
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -39.696
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -44.158
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -516.836275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.836275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.388318 (E_RNA)
where:
Base-Base interactions energy: -349.188
where: short stacking energy: -145.882
Base-Backbone interact. energy: -1.746
local terms energy: -166.453947
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -45.280
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -519.682694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.682694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.288188 (E_RNA)
where:
Base-Base interactions energy: -347.844
where: short stacking energy: -146.868
Base-Backbone interact. energy: -0.090
local terms energy: -172.353762
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -46.479
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -506.939447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.939447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.079169 (E_RNA)
where:
Base-Base interactions energy: -348.310
where: short stacking energy: -134.889
Base-Backbone interact. energy: -0.700
local terms energy: -158.069634
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -488.122464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.122464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.574291 (E_RNA)
where:
Base-Base interactions energy: -329.362
where: short stacking energy: -136.164
Base-Backbone interact. energy: 0.082
local terms energy: -159.294180
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -34.960
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -42.215
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -469.336735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.336735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.465640 (E_RNA)
where:
Base-Base interactions energy: -328.559
where: short stacking energy: -127.225
Base-Backbone interact. energy: -1.522
local terms energy: -140.385280
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -37.630
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -470.020117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.020117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.101523 (E_RNA)
where:
Base-Base interactions energy: -321.332
where: short stacking energy: -131.521
Base-Backbone interact. energy: 0.899
local terms energy: -150.668611
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -436.763053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.763053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.729262 (E_RNA)
where:
Base-Base interactions energy: -295.382
where: short stacking energy: -118.632
Base-Backbone interact. energy: -0.514
local terms energy: -141.833209
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -33.387
Dist. restrs. and SS energy: 0.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -445.527871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.527871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.301338 (E_RNA)
where:
Base-Base interactions energy: -318.663
where: short stacking energy: -124.077
Base-Backbone interact. energy: -1.822
local terms energy: -127.816510
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -556.625647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.625647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.669699 (E_RNA)
where:
Base-Base interactions energy: -382.430
where: short stacking energy: -155.118
Base-Backbone interact. energy: 2.753
local terms energy: -176.992716
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -46.111
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -532.182278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.182278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.401353 (E_RNA)
where:
Base-Base interactions energy: -357.787
where: short stacking energy: -151.355
Base-Backbone interact. energy: -0.218
local terms energy: -174.396257
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -39.545
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -44.090
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: 305
Temperature: 1.000000
Total energy: -525.440000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.440000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.048202 (E_RNA)
where:
Base-Base interactions energy: -355.811
where: short stacking energy: -147.143
Base-Backbone interact. energy: -0.905
local terms energy: -169.332205
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -34.788
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -43.616
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: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -519.586414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.586414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.715292 (E_RNA)
where:
Base-Base interactions energy: -366.949
where: short stacking energy: -153.030
Base-Backbone interact. energy: -0.462
local terms energy: -153.304313
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -509.175446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.175446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.564846 (E_RNA)
where:
Base-Base interactions energy: -342.522
where: short stacking energy: -147.361
Base-Backbone interact. energy: -0.425
local terms energy: -166.617817
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -43.525
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -492.030266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.030266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.438677 (E_RNA)
where:
Base-Base interactions energy: -350.461
where: short stacking energy: -137.346
Base-Backbone interact. energy: -0.532
local terms energy: -141.445534
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -467.462821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.208231 (E_RNA)
where:
Base-Base interactions energy: -318.889
where: short stacking energy: -125.853
Base-Backbone interact. energy: -0.441
local terms energy: -148.878735
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -39.081
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: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -450.470844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.470844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.062137 (E_RNA)
where:
Base-Base interactions energy: -309.830
where: short stacking energy: -122.172
Base-Backbone interact. energy: 1.773
local terms energy: -143.004360
where:
bonds (distance) C4'-P energy: -36.661
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -33.052
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: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -438.189984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.189984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.821833 (E_RNA)
where:
Base-Base interactions energy: -289.571
where: short stacking energy: -120.348
Base-Backbone interact. energy: 0.389
local terms energy: -149.640291
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -37.700
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: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -446.021705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.021705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.965979 (E_RNA)
where:
Base-Base interactions energy: -308.221
where: short stacking energy: -122.257
Base-Backbone interact. energy: -0.870
local terms energy: -138.874772
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. 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: -558.984866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.984866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.311788 (E_RNA)
where:
Base-Base interactions energy: -378.099
where: short stacking energy: -158.149
Base-Backbone interact. energy: -0.521
local terms energy: -180.691803
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -36.712
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -44.450
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: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -545.280624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.280624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.496914 (E_RNA)
where:
Base-Base interactions energy: -369.877
where: short stacking energy: -156.069
Base-Backbone interact. energy: -1.641
local terms energy: -173.979180
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -39.904
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -510.224155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.224155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.574144 (E_RNA)
where:
Base-Base interactions energy: -337.325
where: short stacking energy: -144.741
Base-Backbone interact. energy: -1.126
local terms energy: -172.123014
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -42.033
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: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -516.907122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.907122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.449326 (E_RNA)
where:
Base-Base interactions energy: -355.124
where: short stacking energy: -142.699
Base-Backbone interact. energy: 0.128
local terms energy: -162.452979
where:
bonds (distance) C4'-P energy: -28.977
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -50.764
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -498.594636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.594636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.737800 (E_RNA)
where:
Base-Base interactions energy: -343.479
where: short stacking energy: -138.933
Base-Backbone interact. energy: -1.094
local terms energy: -154.165353
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -36.873
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -478.072806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.072806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.652564 (E_RNA)
where:
Base-Base interactions energy: -343.030
where: short stacking energy: -139.810
Base-Backbone interact. energy: -0.533
local terms energy: -135.089828
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -32.467
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -471.200045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.200045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.481283 (E_RNA)
where:
Base-Base interactions energy: -332.929
where: short stacking energy: -132.381
Base-Backbone interact. energy: -0.170
local terms energy: -139.382121
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -440.719028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.719028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.093810 (E_RNA)
where:
Base-Base interactions energy: -312.867
where: short stacking energy: -117.821
Base-Backbone interact. energy: 2.169
local terms energy: -130.395830
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -25.857
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -437.483256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.483256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.120556 (E_RNA)
where:
Base-Base interactions energy: -309.564
where: short stacking energy: -113.352
Base-Backbone interact. energy: -1.267
local terms energy: -127.288873
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -27.241
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: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -436.670951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.670951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.226129 (E_RNA)
where:
Base-Base interactions energy: -294.916
where: short stacking energy: -108.750
Base-Backbone interact. energy: -0.772
local terms energy: -141.537840
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -34.669
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: 307
Temperature: 0.900000
Total energy: -553.570723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.570723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.568840 (E_RNA)
where:
Base-Base interactions energy: -380.370
where: short stacking energy: -160.616
Base-Backbone interact. energy: -0.375
local terms energy: -173.824048
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -43.225
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: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -533.572299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.572299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.851695 (E_RNA)
where:
Base-Base interactions energy: -369.297
where: short stacking energy: -146.697
Base-Backbone interact. energy: -0.593
local terms energy: -163.961421
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -37.278
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -42.528
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -527.414888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.414888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.901584 (E_RNA)
where:
Base-Base interactions energy: -352.559
where: short stacking energy: -151.674
Base-Backbone interact. energy: -1.585
local terms energy: -173.757847
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -45.797
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: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -530.465585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.465585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.078066 (E_RNA)
where:
Base-Base interactions energy: -369.607
where: short stacking energy: -155.752
Base-Backbone interact. energy: 0.936
local terms energy: -162.407069
where:
bonds (distance) C4'-P energy: -31.486
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -44.652
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -519.363678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.363678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.546252 (E_RNA)
where:
Base-Base interactions energy: -351.486
where: short stacking energy: -146.778
Base-Backbone interact. energy: -0.105
local terms energy: -167.955245
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -36.048
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -44.576
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -492.701130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.701130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.131071 (E_RNA)
where:
Base-Base interactions energy: -342.442
where: short stacking energy: -136.275
Base-Backbone interact. energy: 1.183
local terms energy: -151.871303
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -36.507
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -452.571430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.571430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.809148 (E_RNA)
where:
Base-Base interactions energy: -317.695
where: short stacking energy: -126.028
Base-Backbone interact. energy: -0.674
local terms energy: -134.439913
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -35.936
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -437.584342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.584342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.225091 (E_RNA)
where:
Base-Base interactions energy: -304.752
where: short stacking energy: -117.645
Base-Backbone interact. energy: 0.329
local terms energy: -133.802351
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -31.529
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -438.599513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.599513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.314956 (E_RNA)
where:
Base-Base interactions energy: -314.638
where: short stacking energy: -113.178
Base-Backbone interact. energy: -0.063
local terms energy: -125.613815
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -31.483
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -435.977037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.977037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.300504 (E_RNA)
where:
Base-Base interactions energy: -297.362
where: short stacking energy: -110.174
Base-Backbone interact. energy: 0.014
local terms energy: -138.953486
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -31.887
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: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -558.667480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.667480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.680974 (E_RNA)
where:
Base-Base interactions energy: -388.601
where: short stacking energy: -166.855
Base-Backbone interact. energy: -0.643
local terms energy: -170.437391
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -44.815
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: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -535.445640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.445640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.727212 (E_RNA)
where:
Base-Base interactions energy: -372.076
where: short stacking energy: -159.909
Base-Backbone interact. energy: -0.886
local terms energy: -162.764929
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -33.876
flat angles C4'-P-C4' energy: -38.226
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -43.696
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: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -526.242911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.242911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.583087 (E_RNA)
where:
Base-Base interactions energy: -354.676
where: short stacking energy: -155.700
Base-Backbone interact. energy: -0.421
local terms energy: -171.486393
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -44.797
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: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -497.515271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.515271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.990278 (E_RNA)
where:
Base-Base interactions energy: -343.510
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.236
local terms energy: -154.244388
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -34.869
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: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -516.019983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.019983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.544857 (E_RNA)
where:
Base-Base interactions energy: -350.347
where: short stacking energy: -142.473
Base-Backbone interact. energy: -1.624
local terms energy: -164.573793
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -44.867
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: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -487.774972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.774972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.695124 (E_RNA)
where:
Base-Base interactions energy: -349.697
where: short stacking energy: -151.842
Base-Backbone interact. energy: -0.317
local terms energy: -139.681066
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -37.825
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -482.089398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.089398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.317365 (E_RNA)
where:
Base-Base interactions energy: -329.330
where: short stacking energy: -137.172
Base-Backbone interact. energy: -0.573
local terms energy: -152.414590
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -34.252
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -36.758
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: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -441.147415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.147415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.323926 (E_RNA)
where:
Base-Base interactions energy: -307.683
where: short stacking energy: -117.633
Base-Backbone interact. energy: -0.446
local terms energy: -133.195192
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -440.453233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.453233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.670306 (E_RNA)
where:
Base-Base interactions energy: -312.125
where: short stacking energy: -117.015
Base-Backbone interact. energy: -0.189
local terms energy: -128.356761
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -29.360
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: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -441.973756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.973756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.207656 (E_RNA)
where:
Base-Base interactions energy: -316.358
where: short stacking energy: -118.959
Base-Backbone interact. energy: -0.906
local terms energy: -124.943497
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -30.676
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: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -550.044974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.044974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.752970 (E_RNA)
where:
Base-Base interactions energy: -372.797
where: short stacking energy: -161.675
Base-Backbone interact. energy: -0.432
local terms energy: -177.524075
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -48.761
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -551.752547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.752547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.806358 (E_RNA)
where:
Base-Base interactions energy: -380.678
where: short stacking energy: -164.874
Base-Backbone interact. energy: 0.702
local terms energy: -171.829573
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -43.561
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -519.019963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.019963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.429156 (E_RNA)
where:
Base-Base interactions energy: -355.408
where: short stacking energy: -150.091
Base-Backbone interact. energy: -0.723
local terms energy: -163.297646
where:
bonds (distance) C4'-P energy: -29.230
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -39.273
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: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -507.341112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.341112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.553542 (E_RNA)
where:
Base-Base interactions energy: -355.533
where: short stacking energy: -148.559
Base-Backbone interact. energy: -1.831
local terms energy: -150.189900
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -502.718078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.718078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.331279 (E_RNA)
where:
Base-Base interactions energy: -338.367
where: short stacking energy: -141.738
Base-Backbone interact. energy: 1.775
local terms energy: -166.739565
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -37.308
flat angles C4'-P-C4' energy: -35.090
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -40.925
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: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -481.901634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.901634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.987324 (E_RNA)
where:
Base-Base interactions energy: -331.488
where: short stacking energy: -134.354
Base-Backbone interact. energy: -0.996
local terms energy: -150.503818
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 1.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -474.832716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.832716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.139993 (E_RNA)
where:
Base-Base interactions energy: -319.271
where: short stacking energy: -128.434
Base-Backbone interact. energy: -0.208
local terms energy: -155.660807
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -37.321
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: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -444.752958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.752958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.937236 (E_RNA)
where:
Base-Base interactions energy: -305.326
where: short stacking energy: -126.111
Base-Backbone interact. energy: -0.144
local terms energy: -139.467341
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -28.331
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -444.257048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.257048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.876788 (E_RNA)
where:
Base-Base interactions energy: -315.262
where: short stacking energy: -122.204
Base-Backbone interact. energy: -0.548
local terms energy: -129.066159
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -35.340
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: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -434.099169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.099169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.343660 (E_RNA)
where:
Base-Base interactions energy: -310.109
where: short stacking energy: -123.772
Base-Backbone interact. energy: 1.199
local terms energy: -125.432676
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -30.246
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -547.379002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.379002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.833385 (E_RNA)
where:
Base-Base interactions energy: -374.163
where: short stacking energy: -165.515
Base-Backbone interact. energy: -0.890
local terms energy: -172.780500
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -47.543
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: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -540.277577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.277577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.302259 (E_RNA)
where:
Base-Base interactions energy: -382.126
where: short stacking energy: -160.153
Base-Backbone interact. energy: -0.786
local terms energy: -157.389963
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -40.524
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -536.148148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.148148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.414775 (E_RNA)
where:
Base-Base interactions energy: -379.146
where: short stacking energy: -156.766
Base-Backbone interact. energy: 0.004
local terms energy: -157.272383
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -37.656
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: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -521.568580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.568580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.829256 (E_RNA)
where:
Base-Base interactions energy: -366.329
where: short stacking energy: -152.594
Base-Backbone interact. energy: -1.051
local terms energy: -154.449688
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -513.705020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.705020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.809083 (E_RNA)
where:
Base-Base interactions energy: -353.762
where: short stacking energy: -139.616
Base-Backbone interact. energy: -0.690
local terms energy: -159.357216
where:
bonds (distance) C4'-P energy: -35.342
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -36.073
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: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -495.821547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.821547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.328849 (E_RNA)
where:
Base-Base interactions energy: -337.026
where: short stacking energy: -135.601
Base-Backbone interact. energy: -0.438
local terms energy: -158.864991
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -38.249
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -483.102037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.102037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.585501 (E_RNA)
where:
Base-Base interactions energy: -329.524
where: short stacking energy: -130.459
Base-Backbone interact. energy: -0.525
local terms energy: -153.537311
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -39.371
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: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -460.474434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.474434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.016725 (E_RNA)
where:
Base-Base interactions energy: -315.252
where: short stacking energy: -113.689
Base-Backbone interact. energy: -1.188
local terms energy: -144.576833
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -33.291
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: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -446.836768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.836768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.501201 (E_RNA)
where:
Base-Base interactions energy: -317.373
where: short stacking energy: -119.139
Base-Backbone interact. energy: 2.919
local terms energy: -133.047059
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -412.517665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.517665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.725662 (E_RNA)
where:
Base-Base interactions energy: -287.400
where: short stacking energy: -117.745
Base-Backbone interact. energy: 1.080
local terms energy: -126.405513
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -27.844
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -544.512078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.512078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.985204 (E_RNA)
where:
Base-Base interactions energy: -379.714
where: short stacking energy: -144.158
Base-Backbone interact. energy: -0.746
local terms energy: -164.524395
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -37.291
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: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -547.270623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.270623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.727673 (E_RNA)
where:
Base-Base interactions energy: -384.605
where: short stacking energy: -155.225
Base-Backbone interact. energy: -0.068
local terms energy: -163.054100
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -41.343
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: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -539.027118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.027118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.276205 (E_RNA)
where:
Base-Base interactions energy: -380.914
where: short stacking energy: -154.026
Base-Backbone interact. energy: -0.292
local terms energy: -158.070848
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -45.507
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: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -514.912303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.912303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.210397 (E_RNA)
where:
Base-Base interactions energy: -348.113
where: short stacking energy: -145.342
Base-Backbone interact. energy: 0.029
local terms energy: -167.126479
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -45.267
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -503.212250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.212250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.406221 (E_RNA)
where:
Base-Base interactions energy: -343.522
where: short stacking energy: -143.547
Base-Backbone interact. energy: -2.220
local terms energy: -157.664416
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -39.603
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: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -494.129415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.129415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.557771 (E_RNA)
where:
Base-Base interactions energy: -337.430
where: short stacking energy: -135.510
Base-Backbone interact. energy: -1.357
local terms energy: -155.770513
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -43.263
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: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -478.177340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.177340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.023026 (E_RNA)
where:
Base-Base interactions energy: -330.079
where: short stacking energy: -133.075
Base-Backbone interact. energy: -0.873
local terms energy: -148.071553
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -43.301
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: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -471.968287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.968287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.171056 (E_RNA)
where:
Base-Base interactions energy: -334.535
where: short stacking energy: -143.175
Base-Backbone interact. energy: 1.330
local terms energy: -138.966050
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -36.480
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -461.005568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.005568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.120857 (E_RNA)
where:
Base-Base interactions energy: -324.925
where: short stacking energy: -128.330
Base-Backbone interact. energy: 0.091
local terms energy: -136.286852
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -38.315
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: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -448.033955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.033955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.449849 (E_RNA)
where:
Base-Base interactions energy: -313.444
where: short stacking energy: -126.800
Base-Backbone interact. energy: -1.377
local terms energy: -139.629355
where:
bonds (distance) C4'-P energy: -30.563
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 6.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -551.088008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.088008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.408870 (E_RNA)
where:
Base-Base interactions energy: -385.532
where: short stacking energy: -162.384
Base-Backbone interact. energy: -0.489
local terms energy: -165.388759
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -45.127
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -530.376224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.376224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.532790 (E_RNA)
where:
Base-Base interactions energy: -368.512
where: short stacking energy: -145.441
Base-Backbone interact. energy: -1.331
local terms energy: -160.689473
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -21.875
tors. eta vs tors. theta energy: -38.931
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: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -512.490015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.490015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.712190 (E_RNA)
where:
Base-Base interactions energy: -359.091
where: short stacking energy: -146.590
Base-Backbone interact. energy: -0.509
local terms energy: -153.111841
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -35.532
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: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -516.297303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.297303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.609246 (E_RNA)
where:
Base-Base interactions energy: -359.554
where: short stacking energy: -144.659
Base-Backbone interact. energy: 1.431
local terms energy: -158.486840
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -39.768
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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -528.855265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.855265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.104326 (E_RNA)
where:
Base-Base interactions energy: -364.684
where: short stacking energy: -150.289
Base-Backbone interact. energy: -0.272
local terms energy: -164.148190
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -43.297
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: 312
Temperature: 1.150000
Total energy: -485.112823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.112823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.463674 (E_RNA)
where:
Base-Base interactions energy: -339.685
where: short stacking energy: -128.819
Base-Backbone interact. energy: -0.578
local terms energy: -145.200245
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -35.817
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -480.370884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.370884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.870993 (E_RNA)
where:
Base-Base interactions energy: -330.792
where: short stacking energy: -134.029
Base-Backbone interact. energy: 0.274
local terms energy: -150.352574
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -43.582
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: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -465.801018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.801018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.147323 (E_RNA)
where:
Base-Base interactions energy: -317.838
where: short stacking energy: -114.316
Base-Backbone interact. energy: 0.692
local terms energy: -149.001167
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -32.550
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: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -443.078761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.078761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.329816 (E_RNA)
where:
Base-Base interactions energy: -310.876
where: short stacking energy: -115.313
Base-Backbone interact. energy: 0.839
local terms energy: -133.292863
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -30.445
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -28.288
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: 312
Temperature: 1.350000
Total energy: -410.978670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.978670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.314670 (E_RNA)
where:
Base-Base interactions energy: -288.288
where: short stacking energy: -120.701
Base-Backbone interact. energy: 2.322
local terms energy: -130.348792
where:
bonds (distance) C4'-P energy: -28.417
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -29.416
Dist. restrs. and SS energy: 5.336 (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: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -534.030914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.030914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.490894 (E_RNA)
where:
Base-Base interactions energy: -370.765
where: short stacking energy: -142.943
Base-Backbone interact. energy: 3.802
local terms energy: -167.527550
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -39.340
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -34.904
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -517.934217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.934217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.564867 (E_RNA)
where:
Base-Base interactions energy: -356.732
where: short stacking energy: -143.317
Base-Backbone interact. energy: -0.851
local terms energy: -160.981442
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -41.895
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -515.822653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.822653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.009506 (E_RNA)
where:
Base-Base interactions energy: -347.177
where: short stacking energy: -148.644
Base-Backbone interact. energy: -0.349
local terms energy: -168.483080
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -45.101
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: 313
Temperature: 1.050000
Total energy: -494.483247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.483247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.065062 (E_RNA)
where:
Base-Base interactions energy: -349.876
where: short stacking energy: -139.021
Base-Backbone interact. energy: -0.954
local terms energy: -144.235624
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -37.205
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: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -505.004400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.004400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.700911 (E_RNA)
where:
Base-Base interactions energy: -355.668
where: short stacking energy: -140.122
Base-Backbone interact. energy: 0.697
local terms energy: -150.730063
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -38.443
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -486.650756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.650756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.190826 (E_RNA)
where:
Base-Base interactions energy: -339.111
where: short stacking energy: -136.859
Base-Backbone interact. energy: -0.404
local terms energy: -147.675428
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -31.743
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: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -476.975044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.247849 (E_RNA)
where:
Base-Base interactions energy: -336.699
where: short stacking energy: -125.425
Base-Backbone interact. energy: 0.847
local terms energy: -141.396050
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -31.568
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: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -464.227211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.227211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.792514 (E_RNA)
where:
Base-Base interactions energy: -317.504
where: short stacking energy: -122.347
Base-Backbone interact. energy: -0.348
local terms energy: -146.940363
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -34.889
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: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -446.649109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.980457 (E_RNA)
where:
Base-Base interactions energy: -309.487
where: short stacking energy: -117.337
Base-Backbone interact. energy: 1.365
local terms energy: -138.859129
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -32.455
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -413.867144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.867144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.020362 (E_RNA)
where:
Base-Base interactions energy: -283.457
where: short stacking energy: -113.865
Base-Backbone interact. energy: -1.580
local terms energy: -136.983357
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -30.408
Dist. restrs. and SS energy: 8.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -536.607017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.607017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.802788 (E_RNA)
where:
Base-Base interactions energy: -372.135
where: short stacking energy: -147.003
Base-Backbone interact. energy: -1.297
local terms energy: -163.370273
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -44.203
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -536.229559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.229559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.907653 (E_RNA)
where:
Base-Base interactions energy: -364.158
where: short stacking energy: -147.258
Base-Backbone interact. energy: -2.056
local terms energy: -170.694165
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -38.367
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -40.537
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: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -518.588844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.588844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.799622 (E_RNA)
where:
Base-Base interactions energy: -345.710
where: short stacking energy: -151.895
Base-Backbone interact. energy: 0.925
local terms energy: -174.014679
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -30.374
tors. eta vs tors. theta energy: -44.586
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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -499.688828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.688828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.667429 (E_RNA)
where:
Base-Base interactions energy: -340.875
where: short stacking energy: -131.610
Base-Backbone interact. energy: -0.547
local terms energy: -159.245482
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -34.394
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -502.592534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.592534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.264246 (E_RNA)
where:
Base-Base interactions energy: -343.722
where: short stacking energy: -144.313
Base-Backbone interact. energy: -0.800
local terms energy: -158.741825
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -44.693
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: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -468.165195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.165195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.389745 (E_RNA)
where:
Base-Base interactions energy: -320.995
where: short stacking energy: -120.117
Base-Backbone interact. energy: -1.237
local terms energy: -146.157728
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -30.128
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: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -502.415269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.415269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.369167 (E_RNA)
where:
Base-Base interactions energy: -351.786
where: short stacking energy: -143.391
Base-Backbone interact. energy: -0.606
local terms energy: -151.977175
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -42.616
Dist. restrs. and SS energy: 1.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -437.704452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.704452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.043094 (E_RNA)
where:
Base-Base interactions energy: -291.802
where: short stacking energy: -116.467
Base-Backbone interact. energy: -1.303
local terms energy: -145.938006
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -34.978
Dist. restrs. and SS energy: 1.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -462.674703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.674703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.652954 (E_RNA)
where:
Base-Base interactions energy: -318.193
where: short stacking energy: -128.377
Base-Backbone interact. energy: 0.185
local terms energy: -145.645659
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -426.725618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.725618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.745529 (E_RNA)
where:
Base-Base interactions energy: -291.220
where: short stacking energy: -107.070
Base-Backbone interact. energy: -0.134
local terms energy: -136.390905
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 1.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -548.938761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.073281 (E_RNA)
where:
Base-Base interactions energy: -371.903
where: short stacking energy: -161.895
Base-Backbone interact. energy: -1.090
local terms energy: -176.080368
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -37.054
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -44.294
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: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -528.935275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.935275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.331169 (E_RNA)
where:
Base-Base interactions energy: -371.084
where: short stacking energy: -142.298
Base-Backbone interact. energy: -1.218
local terms energy: -157.029664
where:
bonds (distance) C4'-P energy: -33.153
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -37.575
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: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -519.925602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.925602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.085247 (E_RNA)
where:
Base-Base interactions energy: -355.122
where: short stacking energy: -150.586
Base-Backbone interact. energy: -0.734
local terms energy: -164.228943
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -41.651
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -522.904822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.904822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.324280 (E_RNA)
where:
Base-Base interactions energy: -357.610
where: short stacking energy: -140.894
Base-Backbone interact. energy: -0.577
local terms energy: -165.136740
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -31.910
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -41.081
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: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -491.548475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.548475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.607537 (E_RNA)
where:
Base-Base interactions energy: -332.966
where: short stacking energy: -124.122
Base-Backbone interact. energy: -0.965
local terms energy: -157.676327
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -36.712
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -39.882
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -497.945165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.945165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.640894 (E_RNA)
where:
Base-Base interactions energy: -347.056
where: short stacking energy: -133.780
Base-Backbone interact. energy: -1.462
local terms energy: -150.122734
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -38.986
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: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -477.243318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.243318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.660536 (E_RNA)
where:
Base-Base interactions energy: -334.830
where: short stacking energy: -132.825
Base-Backbone interact. energy: -1.229
local terms energy: -141.601784
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -29.826
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: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -439.749725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.749725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.085556 (E_RNA)
where:
Base-Base interactions energy: -310.469
where: short stacking energy: -126.579
Base-Backbone interact. energy: -1.511
local terms energy: -128.106093
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -27.594
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: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -452.245225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.245225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.471177 (E_RNA)
where:
Base-Base interactions energy: -305.384
where: short stacking energy: -127.439
Base-Backbone interact. energy: 0.248
local terms energy: -148.335142
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -35.087
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -392.329784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.329784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.896972 (E_RNA)
where:
Base-Base interactions energy: -277.426
where: short stacking energy: -113.827
Base-Backbone interact. energy: -0.121
local terms energy: -120.350364
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 5.567 (S_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: 316
Temperature: 0.900000
Total energy: -548.033988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.033988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.115230 (E_RNA)
where:
Base-Base interactions energy: -381.104
where: short stacking energy: -160.387
Base-Backbone interact. energy: -0.690
local terms energy: -166.320682
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -44.896
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -546.663326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.663326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.963286 (E_RNA)
where:
Base-Base interactions energy: -377.610
where: short stacking energy: -152.894
Base-Backbone interact. energy: 0.657
local terms energy: -170.009867
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -37.005
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -42.999
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: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -502.027908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.027908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.094391 (E_RNA)
where:
Base-Base interactions energy: -345.710
where: short stacking energy: -150.386
Base-Backbone interact. energy: 1.524
local terms energy: -157.908605
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -38.408
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -515.014732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.014732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.736363 (E_RNA)
where:
Base-Base interactions energy: -352.793
where: short stacking energy: -140.043
Base-Backbone interact. energy: -0.058
local terms energy: -162.885638
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -40.102
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: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -509.838840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.838840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.060852 (E_RNA)
where:
Base-Base interactions energy: -339.557
where: short stacking energy: -121.438
Base-Backbone interact. energy: -0.602
local terms energy: -170.901624
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -37.942
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -39.207
Dist. restrs. and SS energy: 1.222 (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: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -496.744501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.744501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.064222 (E_RNA)
where:
Base-Base interactions energy: -339.765
where: short stacking energy: -140.200
Base-Backbone interact. energy: -0.407
local terms energy: -156.892917
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -33.148
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -42.601
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: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -459.052157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.052157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.630049 (E_RNA)
where:
Base-Base interactions energy: -329.235
where: short stacking energy: -130.609
Base-Backbone interact. energy: -2.855
local terms energy: -127.540470
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -33.760
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: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -431.397545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.397545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.633681 (E_RNA)
where:
Base-Base interactions energy: -318.695
where: short stacking energy: -120.019
Base-Backbone interact. energy: -0.178
local terms energy: -112.761148
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -28.928
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -443.731298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.731298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.507755 (E_RNA)
where:
Base-Base interactions energy: -311.894
where: short stacking energy: -119.068
Base-Backbone interact. energy: -0.516
local terms energy: -132.097269
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -30.504
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -420.801340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.801340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.188444 (E_RNA)
where:
Base-Base interactions energy: -302.497
where: short stacking energy: -109.852
Base-Backbone interact. energy: 0.186
local terms energy: -118.876869
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -26.795
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: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -541.114482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.114482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.349269 (E_RNA)
where:
Base-Base interactions energy: -371.513
where: short stacking energy: -161.659
Base-Backbone interact. energy: 0.688
local terms energy: -170.524478
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -45.216
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: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -533.650339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.650339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.400255 (E_RNA)
where:
Base-Base interactions energy: -374.969
where: short stacking energy: -150.466
Base-Backbone interact. energy: -0.388
local terms energy: -159.042751
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -43.377
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -522.332318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.332318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.854364 (E_RNA)
where:
Base-Base interactions energy: -357.072
where: short stacking energy: -153.551
Base-Backbone interact. energy: -0.864
local terms energy: -164.918157
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -517.600949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.600949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.258638 (E_RNA)
where:
Base-Base interactions energy: -360.523
where: short stacking energy: -145.707
Base-Backbone interact. energy: -0.674
local terms energy: -157.061787
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -39.922
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -518.595890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.595890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.598834 (E_RNA)
where:
Base-Base interactions energy: -359.486
where: short stacking energy: -132.886
Base-Backbone interact. energy: -1.334
local terms energy: -158.779267
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -40.056
Dist. restrs. and SS energy: 1.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -476.410715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.410715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.031586 (E_RNA)
where:
Base-Base interactions energy: -334.023
where: short stacking energy: -136.463
Base-Backbone interact. energy: 0.986
local terms energy: -143.994991
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -32.355
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: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -483.651310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.651310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.749739 (E_RNA)
where:
Base-Base interactions energy: -338.450
where: short stacking energy: -137.293
Base-Backbone interact. energy: -0.427
local terms energy: -145.872314
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -38.731
Dist. restrs. and SS energy: 1.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -446.335353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.335353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.820024 (E_RNA)
where:
Base-Base interactions energy: -325.165
where: short stacking energy: -119.270
Base-Backbone interact. energy: 0.755
local terms energy: -122.410230
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -27.234
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: 317
Temperature: 1.300000
Total energy: -453.613924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.613924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.932541 (E_RNA)
where:
Base-Base interactions energy: -310.464
where: short stacking energy: -113.191
Base-Backbone interact. energy: -0.231
local terms energy: -143.237657
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -33.637
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -398.314479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.596469 (E_RNA)
where:
Base-Base interactions energy: -275.712
where: short stacking energy: -101.669
Base-Backbone interact. energy: 1.133
local terms energy: -124.017634
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -26.763
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: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -533.675393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.675393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.675009 (E_RNA)
where:
Base-Base interactions energy: -368.360
where: short stacking energy: -152.460
Base-Backbone interact. energy: -0.887
local terms energy: -165.428188
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -46.100
Dist. restrs. and SS energy: 1.000 (S_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: 318
Temperature: 0.950000
Total energy: -547.831617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.831617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.083684 (E_RNA)
where:
Base-Base interactions energy: -380.619
where: short stacking energy: -163.533
Base-Backbone interact. energy: 2.269
local terms energy: -169.733029
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -46.040
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -520.145981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.145981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.283370 (E_RNA)
where:
Base-Base interactions energy: -360.769
where: short stacking energy: -132.523
Base-Backbone interact. energy: -1.053
local terms energy: -158.461052
where:
bonds (distance) C4'-P energy: -33.944
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -30.141
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -38.978
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -521.152485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.152485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.108922 (E_RNA)
where:
Base-Base interactions energy: -349.841
where: short stacking energy: -143.147
Base-Backbone interact. energy: 1.067
local terms energy: -173.335072
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -43.777
Dist. restrs. and SS energy: 0.956 (S_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: 318
Temperature: 1.100000
Total energy: -514.715092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.715092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.218377 (E_RNA)
where:
Base-Base interactions energy: -353.504
where: short stacking energy: -144.788
Base-Backbone interact. energy: 0.192
local terms energy: -161.906849
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -41.837
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -489.000053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.000053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.399805 (E_RNA)
where:
Base-Base interactions energy: -343.368
where: short stacking energy: -144.015
Base-Backbone interact. energy: 1.371
local terms energy: -147.402333
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -36.912
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: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -451.853768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.853768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.048055 (E_RNA)
where:
Base-Base interactions energy: -323.810
where: short stacking energy: -118.084
Base-Backbone interact. energy: -0.530
local terms energy: -127.708292
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -27.062
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -504.805028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.805028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.115305 (E_RNA)
where:
Base-Base interactions energy: -355.354
where: short stacking energy: -149.381
Base-Backbone interact. energy: -0.773
local terms energy: -148.988565
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -41.167
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: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -430.414135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.414135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.678234 (E_RNA)
where:
Base-Base interactions energy: -303.493
where: short stacking energy: -116.185
Base-Backbone interact. energy: -0.117
local terms energy: -127.067684
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -24.525
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: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -427.848971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.848971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.717522 (E_RNA)
where:
Base-Base interactions energy: -305.317
where: short stacking energy: -107.841
Base-Backbone interact. energy: -0.277
local terms energy: -123.123695
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -31.359
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: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -537.159084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.159084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.280361 (E_RNA)
where:
Base-Base interactions energy: -368.714
where: short stacking energy: -147.441
Base-Backbone interact. energy: -0.247
local terms energy: -168.319074
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -37.447
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -43.352
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: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -541.236083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.236083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.632566 (E_RNA)
where:
Base-Base interactions energy: -376.442
where: short stacking energy: -160.666
Base-Backbone interact. energy: -0.317
local terms energy: -164.872657
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -34.452
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -46.126
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -525.874406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.874406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.131169 (E_RNA)
where:
Base-Base interactions energy: -353.901
where: short stacking energy: -161.216
Base-Backbone interact. energy: -0.189
local terms energy: -172.041434
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -45.401
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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -512.111549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.111549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.565147 (E_RNA)
where:
Base-Base interactions energy: -358.816
where: short stacking energy: -140.690
Base-Backbone interact. energy: 1.903
local terms energy: -155.652128
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -37.947
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -502.828967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.828967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.343858 (E_RNA)
where:
Base-Base interactions energy: -344.950
where: short stacking energy: -137.101
Base-Backbone interact. energy: 0.592
local terms energy: -158.985074
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -44.570
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: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -471.471485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.471485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.914402 (E_RNA)
where:
Base-Base interactions energy: -333.033
where: short stacking energy: -130.682
Base-Backbone interact. energy: 0.826
local terms energy: -139.706823
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -26.229
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -468.624224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.624224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.974598 (E_RNA)
where:
Base-Base interactions energy: -329.400
where: short stacking energy: -127.716
Base-Backbone interact. energy: -0.808
local terms energy: -138.766712
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -30.427
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: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -452.535168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.535168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.767498 (E_RNA)
where:
Base-Base interactions energy: -319.613
where: short stacking energy: -118.974
Base-Backbone interact. energy: -1.849
local terms energy: -132.305210
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -454.292162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.292162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.468907 (E_RNA)
where:
Base-Base interactions energy: -306.612
where: short stacking energy: -116.658
Base-Backbone interact. energy: -0.707
local terms energy: -147.149541
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -32.823
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -469.522654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.522654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.183774 (E_RNA)
where:
Base-Base interactions energy: -334.549
where: short stacking energy: -126.149
Base-Backbone interact. energy: 2.607
local terms energy: -138.241604
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -30.521
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: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -541.062298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.062298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.471538 (E_RNA)
where:
Base-Base interactions energy: -374.242
where: short stacking energy: -154.739
Base-Backbone interact. energy: -0.796
local terms energy: -166.433801
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -41.602
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: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -532.967213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.967213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.100663 (E_RNA)
where:
Base-Base interactions energy: -365.981
where: short stacking energy: -141.932
Base-Backbone interact. energy: -0.702
local terms energy: -166.416931
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -41.192
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: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -513.382646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.382646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.615599 (E_RNA)
where:
Base-Base interactions energy: -362.440
where: short stacking energy: -144.826
Base-Backbone interact. energy: -0.529
local terms energy: -150.646637
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -32.937
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -39.084
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -529.463065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.463065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.869756 (E_RNA)
where:
Base-Base interactions energy: -375.123
where: short stacking energy: -145.790
Base-Backbone interact. energy: -1.997
local terms energy: -152.749785
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -44.179
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: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -467.857116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.857116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.202210 (E_RNA)
where:
Base-Base interactions energy: -325.027
where: short stacking energy: -124.564
Base-Backbone interact. energy: 0.678
local terms energy: -143.853348
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -34.816
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -481.453182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.453182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.988495 (E_RNA)
where:
Base-Base interactions energy: -327.012
where: short stacking energy: -134.774
Base-Backbone interact. energy: -0.939
local terms energy: -154.037691
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -36.744
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -35.141
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -462.791522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.791522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.535594 (E_RNA)
where:
Base-Base interactions energy: -327.731
where: short stacking energy: -117.545
Base-Backbone interact. energy: 0.429
local terms energy: -136.233379
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -30.856
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: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -471.382868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.382868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.663052 (E_RNA)
where:
Base-Base interactions energy: -328.339
where: short stacking energy: -133.748
Base-Backbone interact. energy: -0.542
local terms energy: -142.782553
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -39.419
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -456.217724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.217724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.048744 (E_RNA)
where:
Base-Base interactions energy: -318.593
where: short stacking energy: -128.615
Base-Backbone interact. energy: -2.189
local terms energy: -136.266714
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -431.327879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.327879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.606082 (E_RNA)
where:
Base-Base interactions energy: -315.033
where: short stacking energy: -117.495
Base-Backbone interact. energy: 4.790
local terms energy: -121.363225
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -555.127268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.127268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.555570 (E_RNA)
where:
Base-Base interactions energy: -375.583
where: short stacking energy: -148.327
Base-Backbone interact. energy: -0.632
local terms energy: -179.341203
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -46.692
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: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -532.642183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.499891 (E_RNA)
where:
Base-Base interactions energy: -365.436
where: short stacking energy: -132.901
Base-Backbone interact. energy: -0.386
local terms energy: -167.677526
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -36.836
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -40.121
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: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -518.525670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.525670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.948480 (E_RNA)
where:
Base-Base interactions energy: -357.959
where: short stacking energy: -154.999
Base-Backbone interact. energy: -0.279
local terms energy: -160.710682
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -33.239
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -41.719
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: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -515.336955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.336955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.919496 (E_RNA)
where:
Base-Base interactions energy: -368.054
where: short stacking energy: -142.519
Base-Backbone interact. energy: -1.407
local terms energy: -146.458415
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -38.668
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -478.383730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.383730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.768024 (E_RNA)
where:
Base-Base interactions energy: -336.905
where: short stacking energy: -127.493
Base-Backbone interact. energy: -0.233
local terms energy: -141.630438
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -32.523
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -496.557137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.557137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.039859 (E_RNA)
where:
Base-Base interactions energy: -343.847
where: short stacking energy: -131.806
Base-Backbone interact. energy: -0.553
local terms energy: -152.639707
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -40.208
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -471.921126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.921126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.179296 (E_RNA)
where:
Base-Base interactions energy: -327.333
where: short stacking energy: -124.703
Base-Backbone interact. energy: -0.017
local terms energy: -144.829120
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -35.124
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: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -457.644900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.644900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.911515 (E_RNA)
where:
Base-Base interactions energy: -316.623
where: short stacking energy: -132.457
Base-Backbone interact. energy: -0.883
local terms energy: -140.405883
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -43.483
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -434.774684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.774684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.647322 (E_RNA)
where:
Base-Base interactions energy: -294.603
where: short stacking energy: -117.966
Base-Backbone interact. energy: -1.194
local terms energy: -139.850588
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -432.994601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.994601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.422541 (E_RNA)
where:
Base-Base interactions energy: -297.573
where: short stacking energy: -107.416
Base-Backbone interact. energy: -1.029
local terms energy: -134.820878
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -30.421
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: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -543.976637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.976637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.649026 (E_RNA)
where:
Base-Base interactions energy: -372.586
where: short stacking energy: -161.328
Base-Backbone interact. energy: -0.367
local terms energy: -171.696374
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -41.725
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: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -545.130064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.130064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.406893 (E_RNA)
where:
Base-Base interactions energy: -381.460
where: short stacking energy: -149.060
Base-Backbone interact. energy: -0.318
local terms energy: -164.628713
where:
bonds (distance) C4'-P energy: -32.994
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -528.979103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.979103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.762723 (E_RNA)
where:
Base-Base interactions energy: -355.893
where: short stacking energy: -151.811
Base-Backbone interact. energy: 0.190
local terms energy: -174.059651
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -44.134
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: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -522.320031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.320031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.697413 (E_RNA)
where:
Base-Base interactions energy: -362.756
where: short stacking energy: -158.546
Base-Backbone interact. energy: -1.603
local terms energy: -158.337748
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -43.994
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: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -514.173180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.173180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.668637 (E_RNA)
where:
Base-Base interactions energy: -358.829
where: short stacking energy: -142.703
Base-Backbone interact. energy: -0.771
local terms energy: -155.068594
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -39.515
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: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -480.674023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.674023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.839904 (E_RNA)
where:
Base-Base interactions energy: -334.350
where: short stacking energy: -135.023
Base-Backbone interact. energy: -0.423
local terms energy: -146.066582
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -479.723407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.723407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.915840 (E_RNA)
where:
Base-Base interactions energy: -326.874
where: short stacking energy: -120.245
Base-Backbone interact. energy: -0.433
local terms energy: -152.609187
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -30.147
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: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -477.965223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.965223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.261841 (E_RNA)
where:
Base-Base interactions energy: -328.939
where: short stacking energy: -128.326
Base-Backbone interact. energy: 0.167
local terms energy: -149.489089
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -39.247
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -434.459553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.459553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.675373 (E_RNA)
where:
Base-Base interactions energy: -309.937
where: short stacking energy: -115.780
Base-Backbone interact. energy: -1.037
local terms energy: -123.701127
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -28.869
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: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -414.362421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.362421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.863638 (E_RNA)
where:
Base-Base interactions energy: -297.627
where: short stacking energy: -112.573
Base-Backbone interact. energy: 0.290
local terms energy: -117.526971
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -24.297
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: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -547.777654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.777654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.722432 (E_RNA)
where:
Base-Base interactions energy: -378.988
where: short stacking energy: -148.562
Base-Backbone interact. energy: -0.477
local terms energy: -169.258040
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -38.769
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -40.107
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -533.094429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.094429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.585620 (E_RNA)
where:
Base-Base interactions energy: -371.718
where: short stacking energy: -148.799
Base-Backbone interact. energy: -0.553
local terms energy: -161.314191
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -37.515
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -44.285
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: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -531.223262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.223262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.664266 (E_RNA)
where:
Base-Base interactions energy: -375.263
where: short stacking energy: -147.095
Base-Backbone interact. energy: 1.151
local terms energy: -157.551840
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -39.734
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -524.912382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.912382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.291096 (E_RNA)
where:
Base-Base interactions energy: -360.316
where: short stacking energy: -147.383
Base-Backbone interact. energy: -0.339
local terms energy: -164.636696
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -47.196
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: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -506.960082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.960082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.316652 (E_RNA)
where:
Base-Base interactions energy: -336.793
where: short stacking energy: -137.940
Base-Backbone interact. energy: 0.197
local terms energy: -170.720481
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -39.622
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: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -490.958689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.958689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.511697 (E_RNA)
where:
Base-Base interactions energy: -345.566
where: short stacking energy: -137.506
Base-Backbone interact. energy: -1.632
local terms energy: -144.313198
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -39.027
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: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -464.673923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.673923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.835924 (E_RNA)
where:
Base-Base interactions energy: -329.865
where: short stacking energy: -127.627
Base-Backbone interact. energy: -0.636
local terms energy: -134.334734
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -33.353
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: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -460.772480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.772480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.173534 (E_RNA)
where:
Base-Base interactions energy: -329.437
where: short stacking energy: -139.447
Base-Backbone interact. energy: -3.075
local terms energy: -128.661886
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -31.928
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: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -428.203163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.203163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.533043 (E_RNA)
where:
Base-Base interactions energy: -301.446
where: short stacking energy: -114.582
Base-Backbone interact. energy: -0.275
local terms energy: -126.811785
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -31.619
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: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -435.375400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.375400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.779956 (E_RNA)
where:
Base-Base interactions energy: -314.336
where: short stacking energy: -132.196
Base-Backbone interact. energy: -0.181
local terms energy: -121.262960
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -30.400
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: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -550.753932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.753932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.527806 (E_RNA)
where:
Base-Base interactions energy: -381.955
where: short stacking energy: -151.127
Base-Backbone interact. energy: -0.532
local terms energy: -169.040626
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -49.062
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -526.745169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.745169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.311555 (E_RNA)
where:
Base-Base interactions energy: -365.020
where: short stacking energy: -137.260
Base-Backbone interact. energy: -0.603
local terms energy: -162.687794
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -34.975
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -529.415408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.415408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.597696 (E_RNA)
where:
Base-Base interactions energy: -364.315
where: short stacking energy: -154.035
Base-Backbone interact. energy: -1.164
local terms energy: -164.118723
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -44.785
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: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -530.468300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.468300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.063494 (E_RNA)
where:
Base-Base interactions energy: -375.734
where: short stacking energy: -143.716
Base-Backbone interact. energy: -0.381
local terms energy: -154.948363
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -39.363
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -493.231018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.231018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.431350 (E_RNA)
where:
Base-Base interactions energy: -338.439
where: short stacking energy: -131.178
Base-Backbone interact. energy: -2.027
local terms energy: -152.964750
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -32.127
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -493.378858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.378858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.570411 (E_RNA)
where:
Base-Base interactions energy: -342.046
where: short stacking energy: -135.905
Base-Backbone interact. energy: -0.783
local terms energy: -150.742080
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -41.014
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: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -481.867226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.867226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.437174 (E_RNA)
where:
Base-Base interactions energy: -328.031
where: short stacking energy: -122.606
Base-Backbone interact. energy: 0.672
local terms energy: -155.078484
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -30.930
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -454.670937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.670937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.455175 (E_RNA)
where:
Base-Base interactions energy: -316.706
where: short stacking energy: -130.940
Base-Backbone interact. energy: -1.355
local terms energy: -137.394264
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -32.855
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: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -448.138095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.138095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.223491 (E_RNA)
where:
Base-Base interactions energy: -318.726
where: short stacking energy: -124.006
Base-Backbone interact. energy: 1.904
local terms energy: -131.401330
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -26.631
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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -441.296681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.296681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.713282 (E_RNA)
where:
Base-Base interactions energy: -317.541
where: short stacking energy: -126.981
Base-Backbone interact. energy: 1.632
local terms energy: -125.804222
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -28.439
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: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -541.608609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.608609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.279754 (E_RNA)
where:
Base-Base interactions energy: -360.974
where: short stacking energy: -151.855
Base-Backbone interact. energy: -1.854
local terms energy: -179.451493
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -46.273
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -541.321287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.321287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.190471 (E_RNA)
where:
Base-Base interactions energy: -372.044
where: short stacking energy: -150.882
Base-Backbone interact. energy: -2.578
local terms energy: -167.568909
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -521.009314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.009314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.697748 (E_RNA)
where:
Base-Base interactions energy: -359.788
where: short stacking energy: -144.700
Base-Backbone interact. energy: -1.931
local terms energy: -159.979001
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -39.938
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -509.509239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.509239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.490044 (E_RNA)
where:
Base-Base interactions energy: -365.023
where: short stacking energy: -135.660
Base-Backbone interact. energy: 2.294
local terms energy: -147.761412
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -37.108
Dist. restrs. and SS energy: 0.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -503.544664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.544664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.831731 (E_RNA)
where:
Base-Base interactions energy: -352.776
where: short stacking energy: -127.939
Base-Backbone interact. energy: -0.520
local terms energy: -150.535989
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -34.772
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -507.477394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.477394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.864392 (E_RNA)
where:
Base-Base interactions energy: -347.026
where: short stacking energy: -137.315
Base-Backbone interact. energy: -1.406
local terms energy: -159.432180
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -479.859584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.859584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.284752 (E_RNA)
where:
Base-Base interactions energy: -331.833
where: short stacking energy: -135.092
Base-Backbone interact. energy: -1.388
local terms energy: -147.063855
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -33.954
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: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -454.851888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.851888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.368121 (E_RNA)
where:
Base-Base interactions energy: -317.574
where: short stacking energy: -123.536
Base-Backbone interact. energy: 0.210
local terms energy: -138.004434
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -34.728
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -470.130923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.130923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.633028 (E_RNA)
where:
Base-Base interactions energy: -330.021
where: short stacking energy: -126.156
Base-Backbone interact. energy: -1.097
local terms energy: -139.514855
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -37.359
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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -427.055222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.055222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.657467 (E_RNA)
where:
Base-Base interactions energy: -302.818
where: short stacking energy: -116.868
Base-Backbone interact. energy: -0.538
local terms energy: -124.301573
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -26.988
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: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -549.116350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.116350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.778497 (E_RNA)
where:
Base-Base interactions energy: -368.836
where: short stacking energy: -148.528
Base-Backbone interact. energy: -0.794
local terms energy: -180.147708
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -38.563
flat angles P-C4'-P energy: -25.641
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -553.754299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.754299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.061701 (E_RNA)
where:
Base-Base interactions energy: -376.201
where: short stacking energy: -164.450
Base-Backbone interact. energy: -2.947
local terms energy: -174.913597
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -526.222027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.222027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.432014 (E_RNA)
where:
Base-Base interactions energy: -365.168
where: short stacking energy: -148.185
Base-Backbone interact. energy: -0.746
local terms energy: -160.518551
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -40.107
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: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -508.757112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.757112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.458292 (E_RNA)
where:
Base-Base interactions energy: -356.087
where: short stacking energy: -137.864
Base-Backbone interact. energy: 0.222
local terms energy: -153.592717
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -492.173875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.173875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.497353 (E_RNA)
where:
Base-Base interactions energy: -347.226
where: short stacking energy: -142.804
Base-Backbone interact. energy: -1.978
local terms energy: -143.293105
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -39.109
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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -487.548239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.110648 (E_RNA)
where:
Base-Base interactions energy: -338.052
where: short stacking energy: -134.400
Base-Backbone interact. energy: -0.443
local terms energy: -149.615686
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -34.195
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: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -481.184876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.184876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.016357 (E_RNA)
where:
Base-Base interactions energy: -334.320
where: short stacking energy: -127.561
Base-Backbone interact. energy: -0.946
local terms energy: -146.750067
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -38.273
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -435.751978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.751978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.976443 (E_RNA)
where:
Base-Base interactions energy: -293.722
where: short stacking energy: -117.044
Base-Backbone interact. energy: -1.258
local terms energy: -141.996869
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -32.224
Dist. restrs. and SS energy: 1.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -454.314264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.314264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.745551 (E_RNA)
where:
Base-Base interactions energy: -328.475
where: short stacking energy: -117.916
Base-Backbone interact. energy: -0.235
local terms energy: -126.034949
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -30.218
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -436.653488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.653488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.963490 (E_RNA)
where:
Base-Base interactions energy: -299.226
where: short stacking energy: -112.606
Base-Backbone interact. energy: -0.369
local terms energy: -137.368347
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -33.229
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -546.121056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.121056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.964635 (E_RNA)
where:
Base-Base interactions energy: -369.800
where: short stacking energy: -159.771
Base-Backbone interact. energy: -1.096
local terms energy: -176.068330
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -546.335387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.335387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.517966 (E_RNA)
where:
Base-Base interactions energy: -371.124
where: short stacking energy: -153.544
Base-Backbone interact. energy: -0.771
local terms energy: -174.622985
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -42.695
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: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -529.299540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.299540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.707493 (E_RNA)
where:
Base-Base interactions energy: -369.182
where: short stacking energy: -141.575
Base-Backbone interact. energy: -0.148
local terms energy: -160.377868
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -46.113
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: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -519.030127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.030127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.152103 (E_RNA)
where:
Base-Base interactions energy: -350.392
where: short stacking energy: -140.357
Base-Backbone interact. energy: -1.031
local terms energy: -167.728459
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -40.161
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: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -494.843614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.843614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.384020 (E_RNA)
where:
Base-Base interactions energy: -335.438
where: short stacking energy: -135.559
Base-Backbone interact. energy: -1.530
local terms energy: -158.415777
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -44.600
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -493.780882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.780882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.533144 (E_RNA)
where:
Base-Base interactions energy: -340.319
where: short stacking energy: -138.147
Base-Backbone interact. energy: 2.485
local terms energy: -157.699165
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 1.752 (S_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: -462.110266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.110266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.287001 (E_RNA)
where:
Base-Base interactions energy: -335.371
where: short stacking energy: -119.325
Base-Backbone interact. energy: -0.960
local terms energy: -125.955532
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -32.536
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -473.606108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.606108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.899650 (E_RNA)
where:
Base-Base interactions energy: -334.729
where: short stacking energy: -131.164
Base-Backbone interact. energy: 1.620
local terms energy: -140.790598
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -35.308
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -435.361211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.361211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.312919 (E_RNA)
where:
Base-Base interactions energy: -301.528
where: short stacking energy: -109.731
Base-Backbone interact. energy: -2.270
local terms energy: -132.514738
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -30.777
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -430.966462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.966462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.597345 (E_RNA)
where:
Base-Base interactions energy: -308.098
where: short stacking energy: -117.905
Base-Backbone interact. energy: -1.415
local terms energy: -122.084111
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -26.574
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: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -549.381984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.381984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.066294 (E_RNA)
where:
Base-Base interactions energy: -379.980
where: short stacking energy: -153.438
Base-Backbone interact. energy: 0.136
local terms energy: -170.222801
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -43.896
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -529.756648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.756648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.216292 (E_RNA)
where:
Base-Base interactions energy: -353.524
where: short stacking energy: -145.987
Base-Backbone interact. energy: -1.248
local terms energy: -175.444228
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -35.925
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -43.980
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -533.074978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.074978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.326670 (E_RNA)
where:
Base-Base interactions energy: -359.630
where: short stacking energy: -155.798
Base-Backbone interact. energy: 0.010
local terms energy: -173.707021
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -47.497
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: 328
Temperature: 1.050000
Total energy: -498.319270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.319270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.537014 (E_RNA)
where:
Base-Base interactions energy: -350.612
where: short stacking energy: -126.429
Base-Backbone interact. energy: -0.916
local terms energy: -147.008521
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -32.939
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -502.563734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.563734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.304266 (E_RNA)
where:
Base-Base interactions energy: -333.022
where: short stacking energy: -139.255
Base-Backbone interact. energy: 0.233
local terms energy: -170.515150
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -39.532
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: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -511.785353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.785353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.234370 (E_RNA)
where:
Base-Base interactions energy: -361.351
where: short stacking energy: -153.255
Base-Backbone interact. energy: 0.697
local terms energy: -151.580737
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -42.758
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: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -461.685019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.685019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.809649 (E_RNA)
where:
Base-Base interactions energy: -325.025
where: short stacking energy: -127.631
Base-Backbone interact. energy: -0.732
local terms energy: -137.053279
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -25.315
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -458.889225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.889225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.088120 (E_RNA)
where:
Base-Base interactions energy: -309.236
where: short stacking energy: -117.399
Base-Backbone interact. energy: -0.954
local terms energy: -148.898061
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -469.760224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.760224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.926322 (E_RNA)
where:
Base-Base interactions energy: -327.604
where: short stacking energy: -127.752
Base-Backbone interact. energy: -0.747
local terms energy: -141.575637
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -41.361
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -429.764917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.764917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.877734 (E_RNA)
where:
Base-Base interactions energy: -297.522
where: short stacking energy: -109.823
Base-Backbone interact. energy: -0.638
local terms energy: -132.717615
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 1.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -546.833171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.833171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.183090 (E_RNA)
where:
Base-Base interactions energy: -381.097
where: short stacking energy: -150.555
Base-Backbone interact. energy: -1.682
local terms energy: -164.403437
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -44.394
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: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -541.498786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.498786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.160968 (E_RNA)
where:
Base-Base interactions energy: -370.139
where: short stacking energy: -162.622
Base-Backbone interact. energy: -0.822
local terms energy: -171.199638
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -47.676
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -526.815694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.815694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.944431 (E_RNA)
where:
Base-Base interactions energy: -361.859
where: short stacking energy: -146.382
Base-Backbone interact. energy: -1.553
local terms energy: -163.532592
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -42.464
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: 329
Temperature: 1.050000
Total energy: -500.939345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.939345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.365161 (E_RNA)
where:
Base-Base interactions energy: -358.158
where: short stacking energy: -141.465
Base-Backbone interact. energy: -1.281
local terms energy: -141.925775
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -33.486
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: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -486.054003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.054003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.520258 (E_RNA)
where:
Base-Base interactions energy: -338.452
where: short stacking energy: -123.757
Base-Backbone interact. energy: 0.094
local terms energy: -148.161794
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -33.014
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: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -474.043906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.043906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.750881 (E_RNA)
where:
Base-Base interactions energy: -335.949
where: short stacking energy: -122.149
Base-Backbone interact. energy: 1.821
local terms energy: -140.623167
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -31.479
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: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -491.853680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.853680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.579028 (E_RNA)
where:
Base-Base interactions energy: -345.293
where: short stacking energy: -139.094
Base-Backbone interact. energy: 1.093
local terms energy: -148.379208
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -40.522
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -473.907604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.907604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.431352 (E_RNA)
where:
Base-Base interactions energy: -325.540
where: short stacking energy: -130.303
Base-Backbone interact. energy: -2.400
local terms energy: -146.491549
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -43.178
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: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -438.534473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.534473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.624455 (E_RNA)
where:
Base-Base interactions energy: -310.669
where: short stacking energy: -126.119
Base-Backbone interact. energy: -0.869
local terms energy: -128.086192
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -31.798
Dist. restrs. and SS energy: 1.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -413.658392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.658392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.971025 (E_RNA)
where:
Base-Base interactions energy: -295.651
where: short stacking energy: -113.958
Base-Backbone interact. energy: -1.024
local terms energy: -117.295882
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -19.325
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: -558.963110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.963110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.188992 (E_RNA)
where:
Base-Base interactions energy: -386.629
where: short stacking energy: -152.512
Base-Backbone interact. energy: -1.101
local terms energy: -171.458395
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -49.822
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -543.231925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.231925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.315609 (E_RNA)
where:
Base-Base interactions energy: -373.928
where: short stacking energy: -154.221
Base-Backbone interact. energy: -0.622
local terms energy: -169.766231
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 1.084 (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: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -511.749158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.749158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.423203 (E_RNA)
where:
Base-Base interactions energy: -359.389
where: short stacking energy: -141.523
Base-Backbone interact. energy: -2.269
local terms energy: -150.765033
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -38.389
Dist. restrs. and SS energy: 0.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -508.568754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.568754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.249818 (E_RNA)
where:
Base-Base interactions energy: -355.342
where: short stacking energy: -154.595
Base-Backbone interact. energy: -1.008
local terms energy: -152.899479
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -45.150
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: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -511.893384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.893384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.266783 (E_RNA)
where:
Base-Base interactions energy: -354.763
where: short stacking energy: -137.855
Base-Backbone interact. energy: 0.055
local terms energy: -157.559492
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -31.806
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -41.497
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: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -483.871021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.871021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.693743 (E_RNA)
where:
Base-Base interactions energy: -335.471
where: short stacking energy: -139.580
Base-Backbone interact. energy: 0.872
local terms energy: -150.095289
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -495.372659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.372659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.349009 (E_RNA)
where:
Base-Base interactions energy: -356.202
where: short stacking energy: -145.374
Base-Backbone interact. energy: -2.795
local terms energy: -137.352551
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -32.730
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: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -472.135879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.135879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.250244 (E_RNA)
where:
Base-Base interactions energy: -321.365
where: short stacking energy: -131.517
Base-Backbone interact. energy: 0.022
local terms energy: -151.906644
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -38.198
Dist. restrs. and SS energy: 1.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -465.814307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.814307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.080359 (E_RNA)
where:
Base-Base interactions energy: -316.390
where: short stacking energy: -127.322
Base-Backbone interact. energy: -0.649
local terms energy: -149.040669
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -38.145
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: 330
Temperature: 1.350000
Total energy: -431.087846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.087846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.800671 (E_RNA)
where:
Base-Base interactions energy: -288.369
where: short stacking energy: -123.233
Base-Backbone interact. energy: -1.576
local terms energy: -141.855449
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -31.676
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -562.057877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.057877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.430329 (E_RNA)
where:
Base-Base interactions energy: -392.294
where: short stacking energy: -147.927
Base-Backbone interact. energy: -1.249
local terms energy: -168.887076
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -43.208
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: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -539.266212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.266212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.662964 (E_RNA)
where:
Base-Base interactions energy: -372.884
where: short stacking energy: -152.854
Base-Backbone interact. energy: 1.327
local terms energy: -168.105693
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -45.211
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: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -532.702817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.702817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.883743 (E_RNA)
where:
Base-Base interactions energy: -373.852
where: short stacking energy: -149.947
Base-Backbone interact. energy: -1.138
local terms energy: -158.894104
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -41.582
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -534.030075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.030075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.272496 (E_RNA)
where:
Base-Base interactions energy: -364.265
where: short stacking energy: -146.634
Base-Backbone interact. energy: -1.966
local terms energy: -168.041792
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -43.466
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: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -500.770055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.770055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.890625 (E_RNA)
where:
Base-Base interactions energy: -352.734
where: short stacking energy: -147.902
Base-Backbone interact. energy: 0.816
local terms energy: -148.972488
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -40.781
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: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -479.684864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.684864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.284363 (E_RNA)
where:
Base-Base interactions energy: -325.260
where: short stacking energy: -135.073
Base-Backbone interact. energy: -0.824
local terms energy: -154.200325
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -35.403
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -36.923
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -491.355047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.355047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.772083 (E_RNA)
where:
Base-Base interactions energy: -334.066
where: short stacking energy: -135.184
Base-Backbone interact. energy: -1.197
local terms energy: -156.509469
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -39.980
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: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -474.559981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.559981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.105816 (E_RNA)
where:
Base-Base interactions energy: -351.196
where: short stacking energy: -143.886
Base-Backbone interact. energy: 0.969
local terms energy: -124.879162
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -36.328
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: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -445.018388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.018388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.483171 (E_RNA)
where:
Base-Base interactions energy: -308.533
where: short stacking energy: -121.632
Base-Backbone interact. energy: -0.036
local terms energy: -136.913850
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -25.360
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: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -434.875907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.875907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.282724 (E_RNA)
where:
Base-Base interactions energy: -298.240
where: short stacking energy: -112.589
Base-Backbone interact. energy: 0.431
local terms energy: -137.473703
where:
bonds (distance) C4'-P energy: -28.230
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -28.342
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -557.381062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.381062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.697687 (E_RNA)
where:
Base-Base interactions energy: -386.065
where: short stacking energy: -149.793
Base-Backbone interact. energy: -0.675
local terms energy: -170.957430
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -44.690
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: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -530.527499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.527499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.202046 (E_RNA)
where:
Base-Base interactions energy: -365.084
where: short stacking energy: -153.655
Base-Backbone interact. energy: -0.492
local terms energy: -165.625644
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -43.546
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: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -515.296447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.296447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.469552 (E_RNA)
where:
Base-Base interactions energy: -351.365
where: short stacking energy: -143.249
Base-Backbone interact. energy: -0.682
local terms energy: -163.423024
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -40.843
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -516.852205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.852205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.921352 (E_RNA)
where:
Base-Base interactions energy: -358.492
where: short stacking energy: -147.770
Base-Backbone interact. energy: -0.126
local terms energy: -159.303384
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -39.314
Dist. restrs. and SS energy: 1.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -506.339608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.339608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.476242 (E_RNA)
where:
Base-Base interactions energy: -340.412
where: short stacking energy: -136.021
Base-Backbone interact. energy: -0.741
local terms energy: -165.323702
where:
bonds (distance) C4'-P energy: -35.038
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -41.437
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -497.463727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.463727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.573529 (E_RNA)
where:
Base-Base interactions energy: -348.358
where: short stacking energy: -142.247
Base-Backbone interact. energy: 0.097
local terms energy: -149.312416
where:
bonds (distance) C4'-P energy: -29.077
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -40.609
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: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -497.624165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.624165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.842954 (E_RNA)
where:
Base-Base interactions energy: -350.101
where: short stacking energy: -140.628
Base-Backbone interact. energy: 0.655
local terms energy: -148.396554
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -37.538
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -467.386763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.386763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.733952 (E_RNA)
where:
Base-Base interactions energy: -318.522
where: short stacking energy: -126.253
Base-Backbone interact. energy: 0.560
local terms energy: -149.772174
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -38.336
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -449.999322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.999322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.236872 (E_RNA)
where:
Base-Base interactions energy: -332.188
where: short stacking energy: -132.696
Base-Backbone interact. energy: -0.335
local terms energy: -117.713808
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -36.874
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -432.818494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.818494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.242965 (E_RNA)
where:
Base-Base interactions energy: -306.949
where: short stacking energy: -105.046
Base-Backbone interact. energy: -1.721
local terms energy: -124.572422
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -34.326
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -24.553
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: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -564.245728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.245728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.440222 (E_RNA)
where:
Base-Base interactions energy: -388.299
where: short stacking energy: -160.119
Base-Backbone interact. energy: -0.462
local terms energy: -175.679300
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -48.473
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -541.271730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.271730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.600619 (E_RNA)
where:
Base-Base interactions energy: -367.214
where: short stacking energy: -156.190
Base-Backbone interact. energy: -0.347
local terms energy: -174.038819
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -38.581
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -44.020
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: 333
Temperature: 1.000000
Total energy: -529.435128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.435128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.759949 (E_RNA)
where:
Base-Base interactions energy: -370.283
where: short stacking energy: -149.625
Base-Backbone interact. energy: 0.811
local terms energy: -160.287625
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -41.734
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -38.477
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -507.525993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.525993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.299689 (E_RNA)
where:
Base-Base interactions energy: -357.531
where: short stacking energy: -132.108
Base-Backbone interact. energy: -0.678
local terms energy: -150.090515
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -31.799
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -497.286190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.286190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.841479 (E_RNA)
where:
Base-Base interactions energy: -351.042
where: short stacking energy: -136.176
Base-Backbone interact. energy: 1.518
local terms energy: -148.316881
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -36.404
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: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -478.734145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.734145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.685281 (E_RNA)
where:
Base-Base interactions energy: -337.121
where: short stacking energy: -128.135
Base-Backbone interact. energy: -1.228
local terms energy: -141.335760
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -40.890
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -459.686556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.686556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.413566 (E_RNA)
where:
Base-Base interactions energy: -312.214
where: short stacking energy: -125.510
Base-Backbone interact. energy: -1.353
local terms energy: -147.846605
where:
bonds (distance) C4'-P energy: -31.578
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -33.986
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: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -479.554496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.554496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.116338 (E_RNA)
where:
Base-Base interactions energy: -323.124
where: short stacking energy: -117.367
Base-Backbone interact. energy: -0.156
local terms energy: -156.835687
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -40.005
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: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -447.421954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.421954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.207219 (E_RNA)
where:
Base-Base interactions energy: -314.004
where: short stacking energy: -121.287
Base-Backbone interact. energy: 1.258
local terms energy: -135.461469
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -29.589
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: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -403.714406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.714406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.288729 (E_RNA)
where:
Base-Base interactions energy: -284.177
where: short stacking energy: -111.602
Base-Backbone interact. energy: -1.544
local terms energy: -118.567463
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -555.050593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.050593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.527159 (E_RNA)
where:
Base-Base interactions energy: -382.170
where: short stacking energy: -152.767
Base-Backbone interact. energy: -1.756
local terms energy: -171.600956
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -37.821
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -44.091
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: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -535.694567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.694567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.026594 (E_RNA)
where:
Base-Base interactions energy: -362.493
where: short stacking energy: -148.120
Base-Backbone interact. energy: -0.247
local terms energy: -173.285617
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -43.872
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -547.438814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.438814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.411084 (E_RNA)
where:
Base-Base interactions energy: -368.644
where: short stacking energy: -161.949
Base-Backbone interact. energy: -1.310
local terms energy: -178.456377
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -39.050
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -44.818
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -504.215901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.215901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.772923 (E_RNA)
where:
Base-Base interactions energy: -352.652
where: short stacking energy: -133.542
Base-Backbone interact. energy: -0.686
local terms energy: -151.435173
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -36.362
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: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -497.880826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.880826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.403162 (E_RNA)
where:
Base-Base interactions energy: -334.699
where: short stacking energy: -134.919
Base-Backbone interact. energy: -0.384
local terms energy: -164.320401
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -499.170962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.170962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.165976 (E_RNA)
where:
Base-Base interactions energy: -345.965
where: short stacking energy: -138.787
Base-Backbone interact. energy: -0.418
local terms energy: -153.783005
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -40.436
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -503.107846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.107846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.172368 (E_RNA)
where:
Base-Base interactions energy: -345.497
where: short stacking energy: -132.417
Base-Backbone interact. energy: -0.391
local terms energy: -157.284462
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -38.974
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -454.395731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.395731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.779894 (E_RNA)
where:
Base-Base interactions energy: -330.020
where: short stacking energy: -122.390
Base-Backbone interact. energy: 0.797
local terms energy: -125.557078
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -36.001
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: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -457.610985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.610985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.970716 (E_RNA)
where:
Base-Base interactions energy: -307.082
where: short stacking energy: -127.495
Base-Backbone interact. energy: -0.994
local terms energy: -149.894930
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -37.141
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -35.360
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: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -436.124526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.124526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.862972 (E_RNA)
where:
Base-Base interactions energy: -304.225
where: short stacking energy: -118.972
Base-Backbone interact. energy: -1.809
local terms energy: -130.828801
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -544.532054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.532054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.871733 (E_RNA)
where:
Base-Base interactions energy: -375.059
where: short stacking energy: -158.848
Base-Backbone interact. energy: -0.469
local terms energy: -169.343895
where:
bonds (distance) C4'-P energy: -31.794
bonds (distance) P-C4' energy: -34.701
flat angles C4'-P-C4' energy: -39.569
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -40.411
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: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -552.780745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.780745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.209098 (E_RNA)
where:
Base-Base interactions energy: -373.213
where: short stacking energy: -158.608
Base-Backbone interact. energy: -0.291
local terms energy: -179.705662
where:
bonds (distance) C4'-P energy: -38.292
bonds (distance) P-C4' energy: -33.381
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -46.151
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: 335
Temperature: 1.000000
Total energy: -517.195667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.195667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.526839 (E_RNA)
where:
Base-Base interactions energy: -361.333
where: short stacking energy: -147.250
Base-Backbone interact. energy: -0.621
local terms energy: -155.572622
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -35.027
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -41.761
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: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -525.304401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.304401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.878725 (E_RNA)
where:
Base-Base interactions energy: -362.344
where: short stacking energy: -145.261
Base-Backbone interact. energy: -0.355
local terms energy: -163.179683
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -46.073
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -496.702537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.702537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.996192 (E_RNA)
where:
Base-Base interactions energy: -358.389
where: short stacking energy: -126.843
Base-Backbone interact. energy: 1.190
local terms energy: -139.797187
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -35.607
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: 335
Temperature: 1.150000
Total energy: -483.423012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.423012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.873596 (E_RNA)
where:
Base-Base interactions energy: -332.546
where: short stacking energy: -123.905
Base-Backbone interact. energy: 1.069
local terms energy: -152.395962
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -38.560
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -34.326
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: 335
Temperature: 1.200000
Total energy: -487.376037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.376037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.704392 (E_RNA)
where:
Base-Base interactions energy: -343.797
where: short stacking energy: -141.912
Base-Backbone interact. energy: 3.390
local terms energy: -147.297440
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -37.275
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: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -453.492063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.733109 (E_RNA)
where:
Base-Base interactions energy: -304.591
where: short stacking energy: -125.928
Base-Backbone interact. energy: -1.268
local terms energy: -148.874026
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -36.023
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -437.018986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.018986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.710862 (E_RNA)
where:
Base-Base interactions energy: -312.675
where: short stacking energy: -123.649
Base-Backbone interact. energy: 3.235
local terms energy: -128.270234
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -29.868
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: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -407.709004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.709004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.743954 (E_RNA)
where:
Base-Base interactions energy: -278.467
where: short stacking energy: -102.102
Base-Backbone interact. energy: -1.724
local terms energy: -128.552954
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -549.861881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.861881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.322952 (E_RNA)
where:
Base-Base interactions energy: -383.045
where: short stacking energy: -150.564
Base-Backbone interact. energy: -0.859
local terms energy: -166.419506
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -35.606
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -38.859
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: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -534.757870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.757870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.890614 (E_RNA)
where:
Base-Base interactions energy: -370.438
where: short stacking energy: -152.916
Base-Backbone interact. energy: 0.266
local terms energy: -164.718984
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -41.851
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -536.784064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.784064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.131909 (E_RNA)
where:
Base-Base interactions energy: -363.868
where: short stacking energy: -148.136
Base-Backbone interact. energy: -0.590
local terms energy: -172.673413
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -48.636
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -536.862304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.862304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.655939 (E_RNA)
where:
Base-Base interactions energy: -372.947
where: short stacking energy: -150.658
Base-Backbone interact. energy: -1.199
local terms energy: -163.509675
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -42.808
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -505.553435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.553435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.028995 (E_RNA)
where:
Base-Base interactions energy: -352.374
where: short stacking energy: -139.278
Base-Backbone interact. energy: -0.646
local terms energy: -154.009447
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -38.491
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -503.691019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.691019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.349740 (E_RNA)
where:
Base-Base interactions energy: -351.647
where: short stacking energy: -134.086
Base-Backbone interact. energy: -0.373
local terms energy: -152.328852
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -33.832
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: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -467.560067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.842338 (E_RNA)
where:
Base-Base interactions energy: -321.389
where: short stacking energy: -129.671
Base-Backbone interact. energy: -0.180
local terms energy: -146.272406
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -36.542
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: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -474.335862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.335862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.325421 (E_RNA)
where:
Base-Base interactions energy: -325.605
where: short stacking energy: -132.542
Base-Backbone interact. energy: -0.516
local terms energy: -149.203764
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -420.616492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.616492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.439394 (E_RNA)
where:
Base-Base interactions energy: -297.080
where: short stacking energy: -124.131
Base-Backbone interact. energy: -0.748
local terms energy: -126.611346
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 3.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -434.983179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.983179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.785741 (E_RNA)
where:
Base-Base interactions energy: -308.989
where: short stacking energy: -121.145
Base-Backbone interact. energy: -0.995
local terms energy: -125.801276
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -546.509038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.509038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.044910 (E_RNA)
where:
Base-Base interactions energy: -372.748
where: short stacking energy: -153.197
Base-Backbone interact. energy: -0.449
local terms energy: -173.848257
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -46.822
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: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -520.144795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.144795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.253608 (E_RNA)
where:
Base-Base interactions energy: -359.254
where: short stacking energy: -145.896
Base-Backbone interact. energy: -0.557
local terms energy: -160.442459
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -38.783
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: 337
Temperature: 1.000000
Total energy: -520.163433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.163433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.586630 (E_RNA)
where:
Base-Base interactions energy: -367.024
where: short stacking energy: -151.794
Base-Backbone interact. energy: 0.105
local terms energy: -153.666923
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -41.953
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: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -520.645495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.645495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.227663 (E_RNA)
where:
Base-Base interactions energy: -364.215
where: short stacking energy: -142.384
Base-Backbone interact. energy: -0.387
local terms energy: -156.625612
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -38.572
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -39.715
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: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -501.285535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.285535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.741902 (E_RNA)
where:
Base-Base interactions energy: -334.275
where: short stacking energy: -142.607
Base-Backbone interact. energy: -1.031
local terms energy: -166.436197
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -43.850
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -489.676154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.676154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.998808 (E_RNA)
where:
Base-Base interactions energy: -327.650
where: short stacking energy: -125.448
Base-Backbone interact. energy: 0.866
local terms energy: -164.214465
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -39.573
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -457.785089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.785089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.344353 (E_RNA)
where:
Base-Base interactions energy: -297.948
where: short stacking energy: -123.844
Base-Backbone interact. energy: -0.521
local terms energy: -159.875035
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -38.425
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -37.392
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -444.280699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.280699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.780662 (E_RNA)
where:
Base-Base interactions energy: -311.678
where: short stacking energy: -133.396
Base-Backbone interact. energy: 2.336
local terms energy: -135.439059
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -31.534
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: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -420.847762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.847762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.157003 (E_RNA)
where:
Base-Base interactions energy: -295.068
where: short stacking energy: -108.490
Base-Backbone interact. energy: 0.333
local terms energy: -127.422537
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 1.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -409.730042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.730042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.652080 (E_RNA)
where:
Base-Base interactions energy: -285.185
where: short stacking energy: -111.474
Base-Backbone interact. energy: -0.385
local terms energy: -125.081710
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -552.932159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.932159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.351042 (E_RNA)
where:
Base-Base interactions energy: -378.887
where: short stacking energy: -162.160
Base-Backbone interact. energy: 1.138
local terms energy: -175.601545
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -37.022
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -47.023
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: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -538.561691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.561691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.111102 (E_RNA)
where:
Base-Base interactions energy: -364.620
where: short stacking energy: -146.070
Base-Backbone interact. energy: -0.554
local terms energy: -173.937164
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -44.924
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: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -526.416970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.416970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.822631 (E_RNA)
where:
Base-Base interactions energy: -367.533
where: short stacking energy: -140.225
Base-Backbone interact. energy: -0.608
local terms energy: -158.681368
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -41.265
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -527.660113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.660113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.871582 (E_RNA)
where:
Base-Base interactions energy: -358.871
where: short stacking energy: -136.202
Base-Backbone interact. energy: -1.104
local terms energy: -167.896721
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -39.369
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -40.777
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -488.782282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.782282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.810486 (E_RNA)
where:
Base-Base interactions energy: -346.403
where: short stacking energy: -142.461
Base-Backbone interact. energy: -0.780
local terms energy: -142.627693
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -42.983
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -490.572469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.572469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.422426 (E_RNA)
where:
Base-Base interactions energy: -335.441
where: short stacking energy: -135.257
Base-Backbone interact. energy: -0.655
local terms energy: -155.326803
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -38.394
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: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -467.969690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.969690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.620930 (E_RNA)
where:
Base-Base interactions energy: -328.217
where: short stacking energy: -130.860
Base-Backbone interact. energy: 1.236
local terms energy: -141.640529
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -39.017
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: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -471.155241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.155241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.395550 (E_RNA)
where:
Base-Base interactions energy: -334.913
where: short stacking energy: -127.780
Base-Backbone interact. energy: -0.702
local terms energy: -135.780796
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -32.288
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: 338
Temperature: 1.300000
Total energy: -437.459511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.459511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.894369 (E_RNA)
where:
Base-Base interactions energy: -307.057
where: short stacking energy: -125.374
Base-Backbone interact. energy: -0.744
local terms energy: -130.092810
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -32.035
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -33.512
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: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -354.485949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.485949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.892400 (E_RNA)
where:
Base-Base interactions energy: -247.154
where: short stacking energy: -90.251
Base-Backbone interact. energy: -2.617
local terms energy: -109.121317
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 4.406 (S_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: 339
Temperature: 0.900000
Total energy: -550.045587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.045587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.556931 (E_RNA)
where:
Base-Base interactions energy: -388.167
where: short stacking energy: -155.737
Base-Backbone interact. energy: -1.506
local terms energy: -160.883945
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -45.269
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -538.023795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.023795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.487882 (E_RNA)
where:
Base-Base interactions energy: -367.142
where: short stacking energy: -151.948
Base-Backbone interact. energy: -1.170
local terms energy: -171.176061
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -44.498
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -532.443299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.443299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.112056 (E_RNA)
where:
Base-Base interactions energy: -358.411
where: short stacking energy: -154.490
Base-Backbone interact. energy: -1.196
local terms energy: -174.505370
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -42.892
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -520.619921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.619921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.063350 (E_RNA)
where:
Base-Base interactions energy: -366.967
where: short stacking energy: -128.488
Base-Backbone interact. energy: 1.419
local terms energy: -155.515962
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -36.965
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -491.546835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.546835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.254460 (E_RNA)
where:
Base-Base interactions energy: -334.273
where: short stacking energy: -128.339
Base-Backbone interact. energy: -0.402
local terms energy: -157.579197
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -39.670
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -485.253311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.253311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.737107 (E_RNA)
where:
Base-Base interactions energy: -329.622
where: short stacking energy: -130.499
Base-Backbone interact. energy: -0.819
local terms energy: -155.295705
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -38.587
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -480.761732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.761732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.231312 (E_RNA)
where:
Base-Base interactions energy: -335.403
where: short stacking energy: -140.048
Base-Backbone interact. energy: -1.071
local terms energy: -144.756792
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -39.850
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -465.949128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.949128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.161248 (E_RNA)
where:
Base-Base interactions energy: -328.650
where: short stacking energy: -128.834
Base-Backbone interact. energy: 0.399
local terms energy: -137.910497
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -31.940
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: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -436.878452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.878452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.689885 (E_RNA)
where:
Base-Base interactions energy: -291.915
where: short stacking energy: -124.498
Base-Backbone interact. energy: -1.316
local terms energy: -145.458128
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 1.811 (S_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: 339
Temperature: 1.350000
Total energy: -364.713360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.713360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.861614 (E_RNA)
where:
Base-Base interactions energy: -240.450
where: short stacking energy: -93.745
Base-Backbone interact. energy: 0.353
local terms energy: -126.764002
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -29.607
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -555.472119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.472119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.958756 (E_RNA)
where:
Base-Base interactions energy: -385.443
where: short stacking energy: -145.128
Base-Backbone interact. energy: -0.547
local terms energy: -169.968633
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -44.918
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: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -557.574618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.574618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.295616 (E_RNA)
where:
Base-Base interactions energy: -382.263
where: short stacking energy: -156.529
Base-Backbone interact. energy: -0.415
local terms energy: -175.617386
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -46.866
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -534.871757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.871757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.758292 (E_RNA)
where:
Base-Base interactions energy: -383.854
where: short stacking energy: -148.101
Base-Backbone interact. energy: -0.080
local terms energy: -151.824520
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -37.949
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: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -508.061092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.061092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.425380 (E_RNA)
where:
Base-Base interactions energy: -346.612
where: short stacking energy: -141.625
Base-Backbone interact. energy: -0.671
local terms energy: -161.141648
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -38.123
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -507.709938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.709938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.024686 (E_RNA)
where:
Base-Base interactions energy: -356.908
where: short stacking energy: -141.517
Base-Backbone interact. energy: 0.842
local terms energy: -151.959345
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -42.714
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -493.049107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.049107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.479341 (E_RNA)
where:
Base-Base interactions energy: -344.463
where: short stacking energy: -130.318
Base-Backbone interact. energy: 1.338
local terms energy: -150.354505
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -488.801445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.801445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.239823 (E_RNA)
where:
Base-Base interactions energy: -338.641
where: short stacking energy: -145.607
Base-Backbone interact. energy: -0.430
local terms energy: -150.168375
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -39.937
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: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -454.400758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.400758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.327219 (E_RNA)
where:
Base-Base interactions energy: -310.036
where: short stacking energy: -114.292
Base-Backbone interact. energy: -0.874
local terms energy: -144.417334
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -35.382
Dist. restrs. and SS energy: 0.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -440.733504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.733504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.068837 (E_RNA)
where:
Base-Base interactions energy: -292.728
where: short stacking energy: -114.863
Base-Backbone interact. energy: -0.880
local terms energy: -147.460422
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -31.600
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -423.994675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.652093 (E_RNA)
where:
Base-Base interactions energy: -280.651
where: short stacking energy: -109.706
Base-Backbone interact. energy: -0.924
local terms energy: -143.077210
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -29.595
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: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -547.181180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.181180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.681810 (E_RNA)
where:
Base-Base interactions energy: -372.310
where: short stacking energy: -155.883
Base-Backbone interact. energy: -1.143
local terms energy: -174.229080
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -43.845
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -535.395626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.395626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.529573 (E_RNA)
where:
Base-Base interactions energy: -382.882
where: short stacking energy: -147.663
Base-Backbone interact. energy: -0.610
local terms energy: -153.037152
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -39.162
Dist. restrs. and SS energy: 1.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -530.468541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.468541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.886673 (E_RNA)
where:
Base-Base interactions energy: -373.958
where: short stacking energy: -141.247
Base-Backbone interact. energy: -1.391
local terms energy: -155.537865
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -33.484
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -42.510
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -528.252069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.252069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.691461 (E_RNA)
where:
Base-Base interactions energy: -367.829
where: short stacking energy: -151.975
Base-Backbone interact. energy: -0.375
local terms energy: -160.487598
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -44.231
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: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -518.386061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.386061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.056199 (E_RNA)
where:
Base-Base interactions energy: -366.551
where: short stacking energy: -142.180
Base-Backbone interact. energy: -0.346
local terms energy: -152.159060
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -38.880
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: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -490.864800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.864800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.174241 (E_RNA)
where:
Base-Base interactions energy: -337.457
where: short stacking energy: -137.631
Base-Backbone interact. energy: -0.678
local terms energy: -153.039034
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -41.205
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: 341
Temperature: 1.200000
Total energy: -475.847002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.847002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.312537 (E_RNA)
where:
Base-Base interactions energy: -323.006
where: short stacking energy: -121.841
Base-Backbone interact. energy: -0.660
local terms energy: -153.646701
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -432.690745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.690745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.144850 (E_RNA)
where:
Base-Base interactions energy: -307.305
where: short stacking energy: -121.339
Base-Backbone interact. energy: -0.708
local terms energy: -125.130975
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -23.407
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: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -440.228951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.228951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.809782 (E_RNA)
where:
Base-Base interactions energy: -304.860
where: short stacking energy: -116.570
Base-Backbone interact. energy: -0.722
local terms energy: -135.227532
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -36.224
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -399.223200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.223200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.186501 (E_RNA)
where:
Base-Base interactions energy: -274.297
where: short stacking energy: -107.387
Base-Backbone interact. energy: -0.341
local terms energy: -125.548608
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -545.934626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.934626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.161263 (E_RNA)
where:
Base-Base interactions energy: -373.612
where: short stacking energy: -143.890
Base-Backbone interact. energy: -0.453
local terms energy: -172.096412
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -42.915
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -537.959530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.959530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.542810 (E_RNA)
where:
Base-Base interactions energy: -372.513
where: short stacking energy: -139.039
Base-Backbone interact. energy: -0.249
local terms energy: -165.780892
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -26.003
tors. eta vs tors. theta energy: -42.723
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -529.567778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.567778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.955042 (E_RNA)
where:
Base-Base interactions energy: -368.097
where: short stacking energy: -142.770
Base-Backbone interact. energy: -1.447
local terms energy: -160.411334
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -43.099
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -505.982262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.982262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.613715 (E_RNA)
where:
Base-Base interactions energy: -353.403
where: short stacking energy: -138.963
Base-Backbone interact. energy: -2.477
local terms energy: -150.733740
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -38.647
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -514.767915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.767915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.692114 (E_RNA)
where:
Base-Base interactions energy: -353.368
where: short stacking energy: -152.548
Base-Backbone interact. energy: -0.378
local terms energy: -161.945336
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -43.977
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -488.182558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.182558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.747171 (E_RNA)
where:
Base-Base interactions energy: -336.906
where: short stacking energy: -122.163
Base-Backbone interact. energy: -1.859
local terms energy: -149.981947
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -33.449
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -455.649243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.649243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.176457 (E_RNA)
where:
Base-Base interactions energy: -302.559
where: short stacking energy: -126.804
Base-Backbone interact. energy: -0.684
local terms energy: -152.933461
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -30.007
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: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -447.985695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.985695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.061618 (E_RNA)
where:
Base-Base interactions energy: -315.468
where: short stacking energy: -116.266
Base-Backbone interact. energy: -0.320
local terms energy: -133.272825
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -33.304
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -28.200
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: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -453.857716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.857716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.549188 (E_RNA)
where:
Base-Base interactions energy: -321.925
where: short stacking energy: -126.804
Base-Backbone interact. energy: -1.234
local terms energy: -131.389938
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -383.728154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.728154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.090988 (E_RNA)
where:
Base-Base interactions energy: -251.485
where: short stacking energy: -87.001
Base-Backbone interact. energy: 0.257
local terms energy: -133.862877
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -557.934130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.934130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.308922 (E_RNA)
where:
Base-Base interactions energy: -376.259
where: short stacking energy: -153.999
Base-Backbone interact. energy: -0.571
local terms energy: -181.478250
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -47.055
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -542.968888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.968888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.287369 (E_RNA)
where:
Base-Base interactions energy: -371.091
where: short stacking energy: -153.226
Base-Backbone interact. energy: 0.594
local terms energy: -172.790666
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -45.036
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -527.078438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.078438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.054779 (E_RNA)
where:
Base-Base interactions energy: -364.957
where: short stacking energy: -142.656
Base-Backbone interact. energy: -1.970
local terms energy: -161.127235
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -42.434
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -535.448643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.448643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.537852 (E_RNA)
where:
Base-Base interactions energy: -365.152
where: short stacking energy: -159.569
Base-Backbone interact. energy: -1.056
local terms energy: -169.329926
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -40.113
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -43.688
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -494.098628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.098628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.580303 (E_RNA)
where:
Base-Base interactions energy: -331.696
where: short stacking energy: -135.605
Base-Backbone interact. energy: -1.294
local terms energy: -161.589920
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -486.188139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.188139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.340651 (E_RNA)
where:
Base-Base interactions energy: -335.653
where: short stacking energy: -132.091
Base-Backbone interact. energy: -0.824
local terms energy: -150.863971
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -36.054
Dist. restrs. and SS energy: 1.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -455.700165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.700165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.450915 (E_RNA)
where:
Base-Base interactions energy: -315.828
where: short stacking energy: -125.525
Base-Backbone interact. energy: 2.193
local terms energy: -142.815754
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -34.220
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: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -446.036956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.036956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.247103 (E_RNA)
where:
Base-Base interactions energy: -299.693
where: short stacking energy: -130.016
Base-Backbone interact. energy: 0.727
local terms energy: -148.281283
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -35.275
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -417.648577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.648577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.737470 (E_RNA)
where:
Base-Base interactions energy: -296.639
where: short stacking energy: -113.738
Base-Backbone interact. energy: -1.496
local terms energy: -120.602207
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -428.234148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.853083 (E_RNA)
where:
Base-Base interactions energy: -300.010
where: short stacking energy: -110.235
Base-Backbone interact. energy: 1.166
local terms energy: -130.009011
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -30.251
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: 344
Temperature: 0.900000
Total energy: -548.102397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.102397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.300224 (E_RNA)
where:
Base-Base interactions energy: -378.103
where: short stacking energy: -152.908
Base-Backbone interact. energy: 0.373
local terms energy: -170.570146
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -45.222
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -554.977738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.977738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.743284 (E_RNA)
where:
Base-Base interactions energy: -385.729
where: short stacking energy: -161.732
Base-Backbone interact. energy: -0.431
local terms energy: -169.582915
where:
bonds (distance) C4'-P energy: -34.723
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -42.300
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: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -534.112676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.112676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.367450 (E_RNA)
where:
Base-Base interactions energy: -368.760
where: short stacking energy: -144.924
Base-Backbone interact. energy: -2.487
local terms energy: -163.120372
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -38.769
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: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -512.043712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.043712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.159858 (E_RNA)
where:
Base-Base interactions energy: -356.650
where: short stacking energy: -144.511
Base-Backbone interact. energy: 1.341
local terms energy: -157.851269
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -37.703
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 1.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -509.922203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.922203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.521866 (E_RNA)
where:
Base-Base interactions energy: -355.442
where: short stacking energy: -140.151
Base-Backbone interact. energy: 3.970
local terms energy: -159.049979
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -36.060
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -492.209858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.209858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.552949 (E_RNA)
where:
Base-Base interactions energy: -348.384
where: short stacking energy: -147.591
Base-Backbone interact. energy: -0.309
local terms energy: -144.859908
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -38.642
Dist. restrs. and SS energy: 1.343 (S_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: -466.247812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.247812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.686620 (E_RNA)
where:
Base-Base interactions energy: -322.477
where: short stacking energy: -129.835
Base-Backbone interact. energy: -0.723
local terms energy: -143.486163
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -32.507
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: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -448.921551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.921551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.605549 (E_RNA)
where:
Base-Base interactions energy: -315.913
where: short stacking energy: -121.147
Base-Backbone interact. energy: -1.324
local terms energy: -132.368514
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -422.054613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.054613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.534315 (E_RNA)
where:
Base-Base interactions energy: -299.322
where: short stacking energy: -108.625
Base-Backbone interact. energy: -0.765
local terms energy: -122.447282
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -31.590
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -25.540
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: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -397.199837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.199837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.537949 (E_RNA)
where:
Base-Base interactions energy: -276.814
where: short stacking energy: -116.480
Base-Backbone interact. energy: 1.359
local terms energy: -124.082849
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -32.334
Dist. restrs. and SS energy: 2.338 (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: 345
Temperature: 0.900000
Total energy: -552.891728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.744122 (E_RNA)
where:
Base-Base interactions energy: -376.036
where: short stacking energy: -138.159
Base-Backbone interact. energy: -1.478
local terms energy: -176.229333
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -44.915
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -550.913978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.913978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.189575 (E_RNA)
where:
Base-Base interactions energy: -380.875
where: short stacking energy: -154.249
Base-Backbone interact. energy: -1.066
local terms energy: -169.249321
where:
bonds (distance) C4'-P energy: -32.351
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -540.458866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.458866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.856520 (E_RNA)
where:
Base-Base interactions energy: -371.624
where: short stacking energy: -151.361
Base-Backbone interact. energy: -1.568
local terms energy: -167.664636
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -41.853
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: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -538.295484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.295484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.153855 (E_RNA)
where:
Base-Base interactions energy: -373.955
where: short stacking energy: -141.794
Base-Backbone interact. energy: 0.261
local terms energy: -165.459902
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -43.431
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: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -507.588664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.588664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.186035 (E_RNA)
where:
Base-Base interactions energy: -346.707
where: short stacking energy: -144.384
Base-Backbone interact. energy: -1.731
local terms energy: -159.748336
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -37.119
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -36.109
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: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -509.186596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.186596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.800091 (E_RNA)
where:
Base-Base interactions energy: -351.003
where: short stacking energy: -136.190
Base-Backbone interact. energy: -1.040
local terms energy: -157.756724
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -39.991
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: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -465.163423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.163423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.547600 (E_RNA)
where:
Base-Base interactions energy: -319.364
where: short stacking energy: -122.534
Base-Backbone interact. energy: 0.733
local terms energy: -146.916016
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -36.435
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -28.745
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: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -443.269678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.269678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.950442 (E_RNA)
where:
Base-Base interactions energy: -306.453
where: short stacking energy: -124.487
Base-Backbone interact. energy: -1.465
local terms energy: -136.033109
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -27.230
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: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -433.727550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.727550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.628550 (E_RNA)
where:
Base-Base interactions energy: -299.972
where: short stacking energy: -122.835
Base-Backbone interact. energy: -1.268
local terms energy: -133.389178
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -431.795891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.795891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.658221 (E_RNA)
where:
Base-Base interactions energy: -284.981
where: short stacking energy: -120.131
Base-Backbone interact. energy: -0.735
local terms energy: -146.942518
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -548.665605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.665605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.720797 (E_RNA)
where:
Base-Base interactions energy: -372.900
where: short stacking energy: -147.058
Base-Backbone interact. energy: -0.425
local terms energy: -175.395829
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -42.764
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -546.795505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.795505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.206505 (E_RNA)
where:
Base-Base interactions energy: -375.237
where: short stacking energy: -162.127
Base-Backbone interact. energy: -0.335
local terms energy: -171.633703
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -44.620
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: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -525.626206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.626206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.898395 (E_RNA)
where:
Base-Base interactions energy: -364.112
where: short stacking energy: -145.541
Base-Backbone interact. energy: -0.751
local terms energy: -161.036114
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -40.840
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -521.234404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.234404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.522280 (E_RNA)
where:
Base-Base interactions energy: -356.728
where: short stacking energy: -151.056
Base-Backbone interact. energy: -0.524
local terms energy: -164.269325
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -34.711
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -43.599
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: 346
Temperature: 1.100000
Total energy: -500.602097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.602097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.848326 (E_RNA)
where:
Base-Base interactions energy: -333.218
where: short stacking energy: -131.678
Base-Backbone interact. energy: -1.530
local terms energy: -167.100458
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 1.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -482.510727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.510727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.712196 (E_RNA)
where:
Base-Base interactions energy: -340.271
where: short stacking energy: -127.734
Base-Backbone interact. energy: -0.598
local terms energy: -142.842376
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -36.940
Dist. restrs. and SS energy: 1.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -457.320397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.320397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.011462 (E_RNA)
where:
Base-Base interactions energy: -309.362
where: short stacking energy: -114.123
Base-Backbone interact. energy: -0.339
local terms energy: -148.310791
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -36.549
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: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -459.595309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.595309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.262448 (E_RNA)
where:
Base-Base interactions energy: -316.867
where: short stacking energy: -122.070
Base-Backbone interact. energy: -0.925
local terms energy: -142.471088
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -35.592
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: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -441.950794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.950794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.205288 (E_RNA)
where:
Base-Base interactions energy: -302.085
where: short stacking energy: -112.071
Base-Backbone interact. energy: 2.557
local terms energy: -142.676760
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -31.751
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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -416.234193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.234193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.118696 (E_RNA)
where:
Base-Base interactions energy: -292.253
where: short stacking energy: -100.273
Base-Backbone interact. energy: -1.679
local terms energy: -123.187151
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -25.267
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -27.541
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -561.107092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.107092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.198042 (E_RNA)
where:
Base-Base interactions energy: -385.636
where: short stacking energy: -161.965
Base-Backbone interact. energy: 0.630
local terms energy: -176.191154
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -45.547
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: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -541.658512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.658512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.412438 (E_RNA)
where:
Base-Base interactions energy: -369.655
where: short stacking energy: -148.958
Base-Backbone interact. energy: -0.908
local terms energy: -171.850072
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -39.702
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -539.630459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.630459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.975360 (E_RNA)
where:
Base-Base interactions energy: -364.693
where: short stacking energy: -152.899
Base-Backbone interact. energy: -1.522
local terms energy: -173.760220
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -39.086
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -43.406
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: 347
Temperature: 1.050000
Total energy: -524.633779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.633779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.982816 (E_RNA)
where:
Base-Base interactions energy: -373.578
where: short stacking energy: -158.829
Base-Backbone interact. energy: 0.488
local terms energy: -151.892267
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -38.911
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: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -488.962056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.962056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.401702 (E_RNA)
where:
Base-Base interactions energy: -335.687
where: short stacking energy: -128.551
Base-Backbone interact. energy: -2.785
local terms energy: -150.929380
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -33.780
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -458.551662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.551662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.155395 (E_RNA)
where:
Base-Base interactions energy: -328.027
where: short stacking energy: -132.102
Base-Backbone interact. energy: -0.231
local terms energy: -130.896878
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -467.244838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.244838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.189008 (E_RNA)
where:
Base-Base interactions energy: -323.593
where: short stacking energy: -129.753
Base-Backbone interact. energy: 0.199
local terms energy: -147.795283
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -31.651
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 3.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -448.581449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.581449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.418128 (E_RNA)
where:
Base-Base interactions energy: -319.728
where: short stacking energy: -114.807
Base-Backbone interact. energy: 1.046
local terms energy: -130.735939
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -446.217265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.217265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.794438 (E_RNA)
where:
Base-Base interactions energy: -306.192
where: short stacking energy: -122.666
Base-Backbone interact. energy: -0.576
local terms energy: -140.026812
where:
bonds (distance) C4'-P energy: -26.199
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -32.994
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: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -418.685965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.685965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.952188 (E_RNA)
where:
Base-Base interactions energy: -294.252
where: short stacking energy: -116.892
Base-Backbone interact. energy: -0.172
local terms energy: -124.528430
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -27.202
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: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -565.829560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.829560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.967310 (E_RNA)
where:
Base-Base interactions energy: -393.992
where: short stacking energy: -162.598
Base-Backbone interact. energy: -1.130
local terms energy: -170.845079
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -43.326
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -546.136324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.136324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.278331 (E_RNA)
where:
Base-Base interactions energy: -373.158
where: short stacking energy: -147.444
Base-Backbone interact. energy: -0.829
local terms energy: -172.291311
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -524.749412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.749412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.725977 (E_RNA)
where:
Base-Base interactions energy: -364.828
where: short stacking energy: -138.412
Base-Backbone interact. energy: -1.011
local terms energy: -159.886872
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -38.304
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -526.440574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.440574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.620699 (E_RNA)
where:
Base-Base interactions energy: -364.887
where: short stacking energy: -154.841
Base-Backbone interact. energy: -0.292
local terms energy: -161.441633
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -45.471
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: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -504.335293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.335293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.917647 (E_RNA)
where:
Base-Base interactions energy: -353.736
where: short stacking energy: -136.269
Base-Backbone interact. energy: -0.175
local terms energy: -151.006831
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -32.658
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: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -457.576571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.576571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.112008 (E_RNA)
where:
Base-Base interactions energy: -316.611
where: short stacking energy: -138.165
Base-Backbone interact. energy: -0.659
local terms energy: -140.841906
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -26.341
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: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -461.599669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.599669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.346198 (E_RNA)
where:
Base-Base interactions energy: -328.228
where: short stacking energy: -132.141
Base-Backbone interact. energy: 1.174
local terms energy: -135.291652
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -33.472
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: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -459.943742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.943742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.726330 (E_RNA)
where:
Base-Base interactions energy: -337.316
where: short stacking energy: -129.415
Base-Backbone interact. energy: -1.084
local terms energy: -123.326026
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -413.496782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.496782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.999795 (E_RNA)
where:
Base-Base interactions energy: -282.460
where: short stacking energy: -118.224
Base-Backbone interact. energy: 3.012
local terms energy: -134.551241
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -451.509075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.509075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.459163 (E_RNA)
where:
Base-Base interactions energy: -312.349
where: short stacking energy: -131.586
Base-Backbone interact. energy: -0.328
local terms energy: -139.782656
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -35.426
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: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -558.599893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.599893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.086004 (E_RNA)
where:
Base-Base interactions energy: -382.953
where: short stacking energy: -151.799
Base-Backbone interact. energy: -0.879
local terms energy: -175.253493
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -43.098
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: 349
Temperature: 0.950000
Total energy: -531.982065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.982065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.162246 (E_RNA)
where:
Base-Base interactions energy: -365.770
where: short stacking energy: -149.044
Base-Backbone interact. energy: 1.626
local terms energy: -168.018877
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -42.161
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: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -532.277282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.277282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.129810 (E_RNA)
where:
Base-Base interactions energy: -372.495
where: short stacking energy: -137.151
Base-Backbone interact. energy: -1.763
local terms energy: -158.871624
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -38.490
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -532.337797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.337797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.672032 (E_RNA)
where:
Base-Base interactions energy: -364.229
where: short stacking energy: -147.139
Base-Backbone interact. energy: 0.964
local terms energy: -169.407531
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -47.211
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -511.814548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.814548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.523993 (E_RNA)
where:
Base-Base interactions energy: -364.126
where: short stacking energy: -140.981
Base-Backbone interact. energy: -0.951
local terms energy: -147.447180
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -479.766165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.766165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.088346 (E_RNA)
where:
Base-Base interactions energy: -334.913
where: short stacking energy: -123.916
Base-Backbone interact. energy: -0.519
local terms energy: -144.655792
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -34.347
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -33.511
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: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -450.793185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.793185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.382080 (E_RNA)
where:
Base-Base interactions energy: -299.849
where: short stacking energy: -114.797
Base-Backbone interact. energy: -0.321
local terms energy: -151.212096
where:
bonds (distance) C4'-P energy: -29.420
bonds (distance) P-C4' energy: -37.798
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -24.628
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: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -483.129075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.129075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.579142 (E_RNA)
where:
Base-Base interactions energy: -353.714
where: short stacking energy: -147.050
Base-Backbone interact. energy: -0.704
local terms energy: -129.160758
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -39.926
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -435.641139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.641139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.979673 (E_RNA)
where:
Base-Base interactions energy: -292.971
where: short stacking energy: -117.477
Base-Backbone interact. energy: -1.273
local terms energy: -141.735693
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -35.679
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: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -393.787644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.787644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.340981 (E_RNA)
where:
Base-Base interactions energy: -273.146
where: short stacking energy: -94.691
Base-Backbone interact. energy: -0.669
local terms energy: -120.526344
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.689
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: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -545.107308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.107308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.474746 (E_RNA)
where:
Base-Base interactions energy: -387.627
where: short stacking energy: -157.865
Base-Backbone interact. energy: -0.491
local terms energy: -157.356883
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -38.932
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -534.910592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.910592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.103296 (E_RNA)
where:
Base-Base interactions energy: -366.572
where: short stacking energy: -154.021
Base-Backbone interact. energy: -0.480
local terms energy: -168.051530
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -47.137
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -526.406564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.406564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.758720 (E_RNA)
where:
Base-Base interactions energy: -366.477
where: short stacking energy: -149.216
Base-Backbone interact. energy: -0.559
local terms energy: -159.723115
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -27.086
tors. eta vs tors. theta energy: -38.021
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: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -517.255976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.255976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.535247 (E_RNA)
where:
Base-Base interactions energy: -362.986
where: short stacking energy: -139.264
Base-Backbone interact. energy: -0.135
local terms energy: -154.414718
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -41.852
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: 350
Temperature: 1.100000
Total energy: -514.594874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.594874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.565287 (E_RNA)
where:
Base-Base interactions energy: -351.228
where: short stacking energy: -145.077
Base-Backbone interact. energy: 0.416
local terms energy: -164.753587
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -42.825
Dist. restrs. and SS energy: 0.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -476.984438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.984438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.502648 (E_RNA)
where:
Base-Base interactions energy: -334.689
where: short stacking energy: -135.501
Base-Backbone interact. energy: -1.324
local terms energy: -141.489837
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -37.543
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: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -479.871727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.871727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.514813 (E_RNA)
where:
Base-Base interactions energy: -347.563
where: short stacking energy: -137.976
Base-Backbone interact. energy: -0.678
local terms energy: -132.273170
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -38.044
Dist. restrs. and SS energy: 0.643 (S_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: 350
Temperature: 1.250000
Total energy: -457.696731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.696731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.028750 (E_RNA)
where:
Base-Base interactions energy: -321.084
where: short stacking energy: -117.323
Base-Backbone interact. energy: 0.019
local terms energy: -136.963888
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -34.316
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -448.587425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.587425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.958903 (E_RNA)
where:
Base-Base interactions energy: -310.867
where: short stacking energy: -118.206
Base-Backbone interact. energy: -0.419
local terms energy: -137.672537
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -34.221
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: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -403.740977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.740977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.383751 (E_RNA)
where:
Base-Base interactions energy: -278.113
where: short stacking energy: -105.147
Base-Backbone interact. energy: -0.218
local terms energy: -130.052381
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 4.643 (S_DIST_RNA)
chem. 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: -550.740716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.740716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.471079 (E_RNA)
where:
Base-Base interactions energy: -390.037
where: short stacking energy: -157.113
Base-Backbone interact. energy: -0.367
local terms energy: -161.067385
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -41.894
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: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -545.442840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.442840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.550859 (E_RNA)
where:
Base-Base interactions energy: -375.648
where: short stacking energy: -147.281
Base-Backbone interact. energy: -1.923
local terms energy: -168.979502
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -533.133855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.133855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.703292 (E_RNA)
where:
Base-Base interactions energy: -372.914
where: short stacking energy: -153.996
Base-Backbone interact. energy: -1.477
local terms energy: -159.312647
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -41.952
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: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -510.437845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.437845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.132026 (E_RNA)
where:
Base-Base interactions energy: -350.866
where: short stacking energy: -144.984
Base-Backbone interact. energy: -0.256
local terms energy: -161.009500
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -48.400
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -515.081539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.081539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.658222 (E_RNA)
where:
Base-Base interactions energy: -353.294
where: short stacking energy: -137.781
Base-Backbone interact. energy: 0.160
local terms energy: -162.524847
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -29.437
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -45.904
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -486.894218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.894218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.055130 (E_RNA)
where:
Base-Base interactions energy: -339.719
where: short stacking energy: -143.279
Base-Backbone interact. energy: -0.437
local terms energy: -146.899374
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -38.495
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -475.324705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.324705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.564274 (E_RNA)
where:
Base-Base interactions energy: -325.523
where: short stacking energy: -124.973
Base-Backbone interact. energy: -0.510
local terms energy: -149.531531
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -34.355
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: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -453.896376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.896376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.555342 (E_RNA)
where:
Base-Base interactions energy: -315.047
where: short stacking energy: -121.209
Base-Backbone interact. energy: -0.215
local terms energy: -139.292942
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -27.464
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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -421.188308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.188308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.830881 (E_RNA)
where:
Base-Base interactions energy: -295.757
where: short stacking energy: -112.137
Base-Backbone interact. energy: 0.461
local terms energy: -126.534687
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.643 (S_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: 351
Temperature: 1.350000
Total energy: -430.185518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.185518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.325870 (E_RNA)
where:
Base-Base interactions energy: -292.261
where: short stacking energy: -92.922
Base-Backbone interact. energy: -2.018
local terms energy: -136.046894
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -28.614
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: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -549.276639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.276639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.132660 (E_RNA)
where:
Base-Base interactions energy: -377.655
where: short stacking energy: -153.914
Base-Backbone interact. energy: 0.820
local terms energy: -173.297849
where:
bonds (distance) C4'-P energy: -38.258
bonds (distance) P-C4' energy: -37.644
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -42.078
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: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -544.114256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.114256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.284167 (E_RNA)
where:
Base-Base interactions energy: -377.337
where: short stacking energy: -149.743
Base-Backbone interact. energy: 0.692
local terms energy: -167.638841
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -47.122
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -533.815907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.901198 (E_RNA)
where:
Base-Base interactions energy: -369.844
where: short stacking energy: -143.398
Base-Backbone interact. energy: -0.265
local terms energy: -164.792330
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -44.984
Dist. restrs. and SS energy: 1.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -511.947257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.947257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.924622 (E_RNA)
where:
Base-Base interactions energy: -351.474
where: short stacking energy: -144.150
Base-Backbone interact. energy: -0.360
local terms energy: -161.090803
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -39.780
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -514.993482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.993482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.299063 (E_RNA)
where:
Base-Base interactions energy: -366.490
where: short stacking energy: -141.488
Base-Backbone interact. energy: -0.893
local terms energy: -147.915658
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -33.078
flat angles C4'-P-C4' energy: -36.686
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -494.676019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.253991 (E_RNA)
where:
Base-Base interactions energy: -344.579
where: short stacking energy: -143.775
Base-Backbone interact. energy: -0.178
local terms energy: -150.496562
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -40.888
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: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -453.784480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.784480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.268737 (E_RNA)
where:
Base-Base interactions energy: -320.265
where: short stacking energy: -125.203
Base-Backbone interact. energy: -0.689
local terms energy: -134.314763
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -37.498
Dist. restrs. and SS energy: 1.484 (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: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -446.197480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.197480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.519037 (E_RNA)
where:
Base-Base interactions energy: -314.452
where: short stacking energy: -118.872
Base-Backbone interact. energy: 0.026
local terms energy: -132.093308
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -31.503
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: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -432.005627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.005627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.420023 (E_RNA)
where:
Base-Base interactions energy: -313.762
where: short stacking energy: -121.023
Base-Backbone interact. energy: -0.505
local terms energy: -122.153426
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: 4.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -417.438616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.438616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.073532 (E_RNA)
where:
Base-Base interactions energy: -287.733
where: short stacking energy: -121.046
Base-Backbone interact. energy: -1.142
local terms energy: -131.199146
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -545.649427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.649427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.197938 (E_RNA)
where:
Base-Base interactions energy: -376.501
where: short stacking energy: -155.198
Base-Backbone interact. energy: -1.568
local terms energy: -168.128929
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -555.528403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.528403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.787824 (E_RNA)
where:
Base-Base interactions energy: -389.454
where: short stacking energy: -155.845
Base-Backbone interact. energy: -0.334
local terms energy: -165.999902
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -42.848
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -530.345709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.345709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.841814 (E_RNA)
where:
Base-Base interactions energy: -369.401
where: short stacking energy: -155.796
Base-Backbone interact. energy: -0.312
local terms energy: -161.128942
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -39.716
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: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -525.093306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.093306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.386527 (E_RNA)
where:
Base-Base interactions energy: -366.372
where: short stacking energy: -141.249
Base-Backbone interact. energy: -0.086
local terms energy: -158.928382
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -41.727
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: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -499.411405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.411405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.148814 (E_RNA)
where:
Base-Base interactions energy: -339.345
where: short stacking energy: -127.325
Base-Backbone interact. energy: 0.519
local terms energy: -161.322541
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -36.234
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -486.638951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.638951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.867900 (E_RNA)
where:
Base-Base interactions energy: -336.488
where: short stacking energy: -122.880
Base-Backbone interact. energy: -0.366
local terms energy: -150.013814
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -38.365
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -464.146081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.146081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.746249 (E_RNA)
where:
Base-Base interactions energy: -326.541
where: short stacking energy: -125.105
Base-Backbone interact. energy: -0.390
local terms energy: -137.815241
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -37.991
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -426.406900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.406900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.391216 (E_RNA)
where:
Base-Base interactions energy: -311.442
where: short stacking energy: -114.501
Base-Backbone interact. energy: -0.787
local terms energy: -119.161856
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 4.984 (S_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: -459.668875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.668875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.973064 (E_RNA)
where:
Base-Base interactions energy: -328.151
where: short stacking energy: -138.046
Base-Backbone interact. energy: 0.615
local terms energy: -132.437272
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -32.133
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: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -435.268325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.268325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.797005 (E_RNA)
where:
Base-Base interactions energy: -300.789
where: short stacking energy: -114.172
Base-Backbone interact. energy: -0.552
local terms energy: -134.455809
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -35.536
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: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -559.708917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.708917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.938818 (E_RNA)
where:
Base-Base interactions energy: -381.823
where: short stacking energy: -160.884
Base-Backbone interact. energy: 0.432
local terms energy: -178.547529
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -48.759
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: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -523.343227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.343227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.692531 (E_RNA)
where:
Base-Base interactions energy: -358.867
where: short stacking energy: -146.108
Base-Backbone interact. energy: -3.054
local terms energy: -161.771418
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -43.818
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: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -549.573893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.573893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.219888 (E_RNA)
where:
Base-Base interactions energy: -378.997
where: short stacking energy: -159.721
Base-Backbone interact. energy: 1.842
local terms energy: -173.065057
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -35.987
flat angles C4'-P-C4' energy: -37.588
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -42.977
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -526.971388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.971388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.140817 (E_RNA)
where:
Base-Base interactions energy: -357.477
where: short stacking energy: -141.239
Base-Backbone interact. energy: -0.430
local terms energy: -169.234433
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -39.284
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -47.802
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: 354
Temperature: 1.100000
Total energy: -492.769901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.769901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.376863 (E_RNA)
where:
Base-Base interactions energy: -327.062
where: short stacking energy: -124.448
Base-Backbone interact. energy: -1.026
local terms energy: -165.289231
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -38.544
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -494.446295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.446295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.740606 (E_RNA)
where:
Base-Base interactions energy: -349.382
where: short stacking energy: -132.319
Base-Backbone interact. energy: -0.528
local terms energy: -144.831189
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -31.519
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: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -453.756704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.756704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.980011 (E_RNA)
where:
Base-Base interactions energy: -318.241
where: short stacking energy: -123.128
Base-Backbone interact. energy: -0.832
local terms energy: -139.907065
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -29.986
Dist. restrs. and SS energy: 5.223 (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: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -453.277153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.277153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.364689 (E_RNA)
where:
Base-Base interactions energy: -316.002
where: short stacking energy: -124.127
Base-Backbone interact. energy: -1.164
local terms energy: -137.198910
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -31.298
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: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -442.272595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.272595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.916723 (E_RNA)
where:
Base-Base interactions energy: -303.937
where: short stacking energy: -109.229
Base-Backbone interact. energy: 0.359
local terms energy: -139.338652
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -28.694
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -427.413367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.413367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.578567 (E_RNA)
where:
Base-Base interactions energy: -306.657
where: short stacking energy: -121.990
Base-Backbone interact. energy: -0.786
local terms energy: -120.135328
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -554.749619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.795742 (E_RNA)
where:
Base-Base interactions energy: -379.256
where: short stacking energy: -150.322
Base-Backbone interact. energy: -0.314
local terms energy: -175.226616
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -540.975158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.975158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.611637 (E_RNA)
where:
Base-Base interactions energy: -373.749
where: short stacking energy: -153.159
Base-Backbone interact. energy: 1.861
local terms energy: -169.724005
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -529.874687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.874687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.283806 (E_RNA)
where:
Base-Base interactions energy: -360.668
where: short stacking energy: -154.476
Base-Backbone interact. energy: -0.682
local terms energy: -168.934632
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -38.969
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: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -528.594957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.594957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.731702 (E_RNA)
where:
Base-Base interactions energy: -361.161
where: short stacking energy: -144.559
Base-Backbone interact. energy: -1.565
local terms energy: -166.005707
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -44.406
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -502.770338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.770338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.504318 (E_RNA)
where:
Base-Base interactions energy: -339.210
where: short stacking energy: -144.836
Base-Backbone interact. energy: 0.989
local terms energy: -165.283430
where:
bonds (distance) C4'-P energy: -30.415
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -485.624343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.624343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.549013 (E_RNA)
where:
Base-Base interactions energy: -333.595
where: short stacking energy: -130.903
Base-Backbone interact. energy: -0.895
local terms energy: -152.059603
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -27.834
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: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -453.492543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.492543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.357726 (E_RNA)
where:
Base-Base interactions energy: -316.497
where: short stacking energy: -128.037
Base-Backbone interact. energy: -0.014
local terms energy: -138.846417
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -447.800689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.800689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.111929 (E_RNA)
where:
Base-Base interactions energy: -320.560
where: short stacking energy: -131.109
Base-Backbone interact. energy: 0.483
local terms energy: -128.035015
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -32.882
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: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -446.694191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.694191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.492217 (E_RNA)
where:
Base-Base interactions energy: -310.675
where: short stacking energy: -121.664
Base-Backbone interact. energy: -1.099
local terms energy: -135.717527
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -438.278530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.278530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.725044 (E_RNA)
where:
Base-Base interactions energy: -307.734
where: short stacking energy: -117.673
Base-Backbone interact. energy: -0.786
local terms energy: -130.204351
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -30.065
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: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -556.163364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.163364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.696690 (E_RNA)
where:
Base-Base interactions energy: -376.706
where: short stacking energy: -153.897
Base-Backbone interact. energy: -0.474
local terms energy: -179.516925
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -45.095
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -540.579451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.579451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.751385 (E_RNA)
where:
Base-Base interactions energy: -384.611
where: short stacking energy: -154.788
Base-Backbone interact. energy: 0.831
local terms energy: -156.971200
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -45.497
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: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -536.176737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.176737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.629470 (E_RNA)
where:
Base-Base interactions energy: -364.984
where: short stacking energy: -138.360
Base-Backbone interact. energy: -2.733
local terms energy: -168.912128
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -40.292
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -514.195894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.195894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.457097 (E_RNA)
where:
Base-Base interactions energy: -348.628
where: short stacking energy: -147.012
Base-Backbone interact. energy: -1.564
local terms energy: -164.265380
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -39.513
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -499.511307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.511307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.751996 (E_RNA)
where:
Base-Base interactions energy: -332.696
where: short stacking energy: -128.805
Base-Backbone interact. energy: -1.026
local terms energy: -166.029759
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -39.357
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: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -492.713892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.713892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.866745 (E_RNA)
where:
Base-Base interactions energy: -344.671
where: short stacking energy: -133.402
Base-Backbone interact. energy: -0.217
local terms energy: -147.978867
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -37.225
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -479.441592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.441592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.656882 (E_RNA)
where:
Base-Base interactions energy: -332.247
where: short stacking energy: -124.755
Base-Backbone interact. energy: -0.927
local terms energy: -148.483175
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -35.228
Dist. restrs. and SS energy: 2.215 (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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -453.736387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.736387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.406473 (E_RNA)
where:
Base-Base interactions energy: -318.281
where: short stacking energy: -123.941
Base-Backbone interact. energy: 0.570
local terms energy: -136.695524
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -32.312
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: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -429.126842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.126842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.469379 (E_RNA)
where:
Base-Base interactions energy: -303.521
where: short stacking energy: -109.304
Base-Backbone interact. energy: 2.082
local terms energy: -128.030487
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -30.484
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: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -424.417174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.417174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.373004 (E_RNA)
where:
Base-Base interactions energy: -290.234
where: short stacking energy: -111.415
Base-Backbone interact. energy: 1.622
local terms energy: -136.760676
where:
bonds (distance) C4'-P energy: -34.980
bonds (distance) P-C4' energy: -31.919
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -547.883693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.353714 (E_RNA)
where:
Base-Base interactions energy: -371.795
where: short stacking energy: -144.540
Base-Backbone interact. energy: -0.961
local terms energy: -175.597822
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -43.641
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: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -542.078107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.078107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.195660 (E_RNA)
where:
Base-Base interactions energy: -371.124
where: short stacking energy: -150.183
Base-Backbone interact. energy: -0.870
local terms energy: -170.201684
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -43.484
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -544.028856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.028856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.440926 (E_RNA)
where:
Base-Base interactions energy: -372.576
where: short stacking energy: -152.338
Base-Backbone interact. energy: 0.422
local terms energy: -172.286225
where:
bonds (distance) C4'-P energy: -39.146
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -49.126
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: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -500.029204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.029204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.603233 (E_RNA)
where:
Base-Base interactions energy: -333.506
where: short stacking energy: -128.020
Base-Backbone interact. energy: -0.624
local terms energy: -166.472984
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -35.407
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -502.639063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.639063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.133421 (E_RNA)
where:
Base-Base interactions energy: -347.924
where: short stacking energy: -141.019
Base-Backbone interact. energy: 0.587
local terms energy: -155.795778
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -40.084
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: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -474.340943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.340943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.160162 (E_RNA)
where:
Base-Base interactions energy: -336.576
where: short stacking energy: -124.698
Base-Backbone interact. energy: -1.752
local terms energy: -136.832638
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -454.676024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.676024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.901981 (E_RNA)
where:
Base-Base interactions energy: -312.051
where: short stacking energy: -111.138
Base-Backbone interact. energy: -0.816
local terms energy: -142.035216
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -29.802
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: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -437.417886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.417886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.098707 (E_RNA)
where:
Base-Base interactions energy: -304.876
where: short stacking energy: -120.965
Base-Backbone interact. energy: 0.119
local terms energy: -133.342155
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -32.808
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -443.825922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.825922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.337668 (E_RNA)
where:
Base-Base interactions energy: -312.436
where: short stacking energy: -121.182
Base-Backbone interact. energy: -0.396
local terms energy: -131.506015
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -31.853
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: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -434.420727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.420727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.707877 (E_RNA)
where:
Base-Base interactions energy: -318.469
where: short stacking energy: -119.157
Base-Backbone interact. energy: 1.330
local terms energy: -117.568548
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -27.088
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: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -547.469212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.065078 (E_RNA)
where:
Base-Base interactions energy: -373.846
where: short stacking energy: -157.709
Base-Backbone interact. energy: -2.035
local terms energy: -172.184296
where:
bonds (distance) C4'-P energy: -35.448
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -535.137452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.137452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.537804 (E_RNA)
where:
Base-Base interactions energy: -371.587
where: short stacking energy: -155.828
Base-Backbone interact. energy: 2.643
local terms energy: -166.593076
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -35.656
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -47.723
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: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -523.504810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.504810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.998208 (E_RNA)
where:
Base-Base interactions energy: -367.236
where: short stacking energy: -150.175
Base-Backbone interact. energy: 1.216
local terms energy: -157.977788
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -32.587
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -40.946
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -523.409523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.409523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.631283 (E_RNA)
where:
Base-Base interactions energy: -350.654
where: short stacking energy: -144.841
Base-Backbone interact. energy: -2.482
local terms energy: -170.495156
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -45.202
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: 358
Temperature: 1.100000
Total energy: -492.617842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.617842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.379390 (E_RNA)
where:
Base-Base interactions energy: -342.908
where: short stacking energy: -144.332
Base-Backbone interact. energy: 0.512
local terms energy: -150.982752
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -35.505
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: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -498.859381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.859381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.067742 (E_RNA)
where:
Base-Base interactions energy: -352.868
where: short stacking energy: -122.833
Base-Backbone interact. energy: -0.518
local terms energy: -145.682058
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -37.196
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: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -475.183220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.183220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.616097 (E_RNA)
where:
Base-Base interactions energy: -340.520
where: short stacking energy: -128.678
Base-Backbone interact. energy: -0.410
local terms energy: -134.686589
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -446.289692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.289692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.688307 (E_RNA)
where:
Base-Base interactions energy: -308.741
where: short stacking energy: -109.606
Base-Backbone interact. energy: -1.296
local terms energy: -136.651096
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -456.403812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.403812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.879571 (E_RNA)
where:
Base-Base interactions energy: -313.467
where: short stacking energy: -111.382
Base-Backbone interact. energy: -0.994
local terms energy: -142.419100
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -35.364
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -31.413
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -419.564829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.564829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.764291 (E_RNA)
where:
Base-Base interactions energy: -318.476
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.940
local terms energy: -100.347644
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -24.360
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: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -537.570018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.570018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.748838 (E_RNA)
where:
Base-Base interactions energy: -362.747
where: short stacking energy: -149.769
Base-Backbone interact. energy: -1.122
local terms energy: -174.879680
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -43.186
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -534.220650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.220650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480034 (E_RNA)
where:
Base-Base interactions energy: -371.295
where: short stacking energy: -156.353
Base-Backbone interact. energy: 1.101
local terms energy: -164.285702
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -34.311
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -536.258845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.258845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.408596 (E_RNA)
where:
Base-Base interactions energy: -367.732
where: short stacking energy: -158.745
Base-Backbone interact. energy: -0.271
local terms energy: -168.405968
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -40.388
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -44.600
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -512.284461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.284461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.410025 (E_RNA)
where:
Base-Base interactions energy: -352.792
where: short stacking energy: -148.499
Base-Backbone interact. energy: -0.375
local terms energy: -159.242477
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -44.850
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: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -501.538936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.538936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.978666 (E_RNA)
where:
Base-Base interactions energy: -347.229
where: short stacking energy: -137.985
Base-Backbone interact. energy: -0.231
local terms energy: -154.519216
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -42.172
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -483.569588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.569588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.009092 (E_RNA)
where:
Base-Base interactions energy: -350.541
where: short stacking energy: -143.688
Base-Backbone interact. energy: 0.309
local terms energy: -133.777324
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -28.031
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -37.132
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -471.311471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.311471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.327413 (E_RNA)
where:
Base-Base interactions energy: -324.910
where: short stacking energy: -127.656
Base-Backbone interact. energy: 0.075
local terms energy: -147.492221
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -28.583
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: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -466.059093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.059093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.957078 (E_RNA)
where:
Base-Base interactions energy: -333.412
where: short stacking energy: -133.911
Base-Backbone interact. energy: 2.837
local terms energy: -136.381393
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -28.402
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: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -422.816486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.816486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.535912 (E_RNA)
where:
Base-Base interactions energy: -301.893
where: short stacking energy: -111.285
Base-Backbone interact. energy: 0.767
local terms energy: -122.409636
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -22.928
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: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -431.657041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.657041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.951124 (E_RNA)
where:
Base-Base interactions energy: -292.173
where: short stacking energy: -115.299
Base-Backbone interact. energy: -0.944
local terms energy: -138.833990
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -36.998
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -540.886263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.886263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.944010 (E_RNA)
where:
Base-Base interactions energy: -366.606
where: short stacking energy: -151.444
Base-Backbone interact. energy: -1.062
local terms energy: -174.275457
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -41.358
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -528.428013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.428013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.783770 (E_RNA)
where:
Base-Base interactions energy: -364.883
where: short stacking energy: -146.191
Base-Backbone interact. energy: -0.872
local terms energy: -163.028408
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -36.155
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: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -531.590721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.590721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.992856 (E_RNA)
where:
Base-Base interactions energy: -377.864
where: short stacking energy: -149.025
Base-Backbone interact. energy: -0.336
local terms energy: -153.793030
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -41.170
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -511.469934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.469934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.770461 (E_RNA)
where:
Base-Base interactions energy: -355.367
where: short stacking energy: -143.388
Base-Backbone interact. energy: -1.393
local terms energy: -155.010554
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -37.450
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -499.166708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.166708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.180549 (E_RNA)
where:
Base-Base interactions energy: -351.012
where: short stacking energy: -138.635
Base-Backbone interact. energy: -0.913
local terms energy: -148.255473
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -38.037
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -517.025122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.025122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.028017 (E_RNA)
where:
Base-Base interactions energy: -364.641
where: short stacking energy: -135.477
Base-Backbone interact. energy: -0.144
local terms energy: -152.243129
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -35.680
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -465.200910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.200910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.534715 (E_RNA)
where:
Base-Base interactions energy: -322.136
where: short stacking energy: -134.269
Base-Backbone interact. energy: -1.096
local terms energy: -142.302439
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -40.624
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -33.855
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -461.030692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.030692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.073433 (E_RNA)
where:
Base-Base interactions energy: -323.116
where: short stacking energy: -123.583
Base-Backbone interact. energy: -1.140
local terms energy: -139.817941
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -28.252
Dist. restrs. and SS energy: 3.043 (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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -412.628469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.628469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.333192 (E_RNA)
where:
Base-Base interactions energy: -283.742
where: short stacking energy: -119.978
Base-Backbone interact. energy: -0.293
local terms energy: -133.298472
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 4.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -428.181332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.181332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.408575 (E_RNA)
where:
Base-Base interactions energy: -308.786
where: short stacking energy: -121.109
Base-Backbone interact. energy: -1.030
local terms energy: -118.592551
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -29.617
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: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -551.410447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.410447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.731557 (E_RNA)
where:
Base-Base interactions energy: -384.422
where: short stacking energy: -161.014
Base-Backbone interact. energy: -2.560
local terms energy: -164.749467
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -538.441926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.441926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.679381 (E_RNA)
where:
Base-Base interactions energy: -368.781
where: short stacking energy: -157.046
Base-Backbone interact. energy: -0.536
local terms energy: -169.361630
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -45.494
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: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -525.376121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.376121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.017720 (E_RNA)
where:
Base-Base interactions energy: -366.697
where: short stacking energy: -139.623
Base-Backbone interact. energy: -0.705
local terms energy: -158.615027
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -38.296
Dist. restrs. and SS energy: 0.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -511.567996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.567996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.917779 (E_RNA)
where:
Base-Base interactions energy: -354.626
where: short stacking energy: -153.903
Base-Backbone interact. energy: 2.412
local terms energy: -159.703693
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -37.536
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -47.874
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -502.175219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.175219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.534776 (E_RNA)
where:
Base-Base interactions energy: -349.261
where: short stacking energy: -137.187
Base-Backbone interact. energy: -0.539
local terms energy: -152.734341
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -467.841122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.841122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.425404 (E_RNA)
where:
Base-Base interactions energy: -317.337
where: short stacking energy: -126.540
Base-Backbone interact. energy: -1.665
local terms energy: -149.423997
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -36.771
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -471.511856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.511856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.809921 (E_RNA)
where:
Base-Base interactions energy: -327.925
where: short stacking energy: -128.026
Base-Backbone interact. energy: -1.193
local terms energy: -142.691674
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -31.614
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -443.142245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.142245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.216953 (E_RNA)
where:
Base-Base interactions energy: -317.394
where: short stacking energy: -128.121
Base-Backbone interact. energy: -0.050
local terms energy: -126.773004
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -385.584488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.584488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.614519 (E_RNA)
where:
Base-Base interactions energy: -255.972
where: short stacking energy: -96.143
Base-Backbone interact. energy: -0.545
local terms energy: -132.097440
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -434.719581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.090629 (E_RNA)
where:
Base-Base interactions energy: -300.265
where: short stacking energy: -115.394
Base-Backbone interact. energy: -0.224
local terms energy: -134.602005
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -32.581
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: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -554.199604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.199604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.797192 (E_RNA)
where:
Base-Base interactions energy: -391.682
where: short stacking energy: -156.431
Base-Backbone interact. energy: -0.867
local terms energy: -162.248656
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -43.495
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -543.051748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.051748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.300849 (E_RNA)
where:
Base-Base interactions energy: -365.849
where: short stacking energy: -141.032
Base-Backbone interact. energy: -2.407
local terms energy: -175.044648
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -34.139
flat angles C4'-P-C4' energy: -37.695
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -46.423
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: 362
Temperature: 1.000000
Total energy: -530.172903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.172903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.184510 (E_RNA)
where:
Base-Base interactions energy: -369.082
where: short stacking energy: -152.997
Base-Backbone interact. energy: 0.760
local terms energy: -162.862261
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -42.002
Dist. restrs. and SS energy: 1.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -513.728188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.728188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.928453 (E_RNA)
where:
Base-Base interactions energy: -351.573
where: short stacking energy: -146.086
Base-Backbone interact. energy: 0.537
local terms energy: -163.892615
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -38.543
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -481.594911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.594911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.705524 (E_RNA)
where:
Base-Base interactions energy: -336.056
where: short stacking energy: -131.138
Base-Backbone interact. energy: 0.206
local terms energy: -146.854989
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -36.336
Dist. restrs. and SS energy: 1.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -495.977626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.977626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.516202 (E_RNA)
where:
Base-Base interactions energy: -345.188
where: short stacking energy: -134.399
Base-Backbone interact. energy: -1.605
local terms energy: -149.723242
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -42.888
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: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -476.348290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.348290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.459933 (E_RNA)
where:
Base-Base interactions energy: -325.078
where: short stacking energy: -129.442
Base-Backbone interact. energy: 0.313
local terms energy: -151.695028
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -447.726678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.726678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.655260 (E_RNA)
where:
Base-Base interactions energy: -309.905
where: short stacking energy: -121.508
Base-Backbone interact. energy: 0.074
local terms energy: -138.824800
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -32.254
Dist. restrs. and SS energy: 0.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -459.290452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.290452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.184399 (E_RNA)
where:
Base-Base interactions energy: -314.345
where: short stacking energy: -115.649
Base-Backbone interact. energy: -0.100
local terms energy: -145.739405
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -396.837508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.837508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.502970 (E_RNA)
where:
Base-Base interactions energy: -282.738
where: short stacking energy: -112.070
Base-Backbone interact. energy: -0.455
local terms energy: -120.310073
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -28.319
Dist. restrs. and SS energy: 6.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -565.974813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.974813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.823494 (E_RNA)
where:
Base-Base interactions energy: -392.837
where: short stacking energy: -156.645
Base-Backbone interact. energy: -0.905
local terms energy: -173.081217
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -40.553
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -551.411504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.411504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.648375 (E_RNA)
where:
Base-Base interactions energy: -380.700
where: short stacking energy: -156.034
Base-Backbone interact. energy: 1.160
local terms energy: -172.108826
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -42.556
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -517.236946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.236946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.221113 (E_RNA)
where:
Base-Base interactions energy: -357.064
where: short stacking energy: -137.471
Base-Backbone interact. energy: 0.320
local terms energy: -161.476620
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -44.572
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -513.781186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.781186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.005310 (E_RNA)
where:
Base-Base interactions energy: -352.836
where: short stacking energy: -136.256
Base-Backbone interact. energy: -1.395
local terms energy: -159.773971
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -42.890
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -503.599909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.599909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.779830 (E_RNA)
where:
Base-Base interactions energy: -353.554
where: short stacking energy: -129.064
Base-Backbone interact. energy: -0.149
local terms energy: -150.077535
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -38.315
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -36.218
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: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -494.363154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.363154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.630811 (E_RNA)
where:
Base-Base interactions energy: -352.966
where: short stacking energy: -130.190
Base-Backbone interact. energy: -0.023
local terms energy: -141.642093
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -35.332
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: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -465.228478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.228478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.572426 (E_RNA)
where:
Base-Base interactions energy: -318.389
where: short stacking energy: -133.369
Base-Backbone interact. energy: -0.260
local terms energy: -146.923068
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -41.515
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: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -456.480645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.480645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.176196 (E_RNA)
where:
Base-Base interactions energy: -312.530
where: short stacking energy: -108.570
Base-Backbone interact. energy: -0.048
local terms energy: -144.597641
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -30.130
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: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -438.806063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.806063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.962022 (E_RNA)
where:
Base-Base interactions energy: -310.385
where: short stacking energy: -118.425
Base-Backbone interact. energy: 1.687
local terms energy: -131.263463
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -30.827
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: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -411.197608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.197608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.719949 (E_RNA)
where:
Base-Base interactions energy: -288.860
where: short stacking energy: -112.745
Base-Backbone interact. energy: -0.290
local terms energy: -128.570390
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -28.996
Dist. restrs. and SS energy: 6.522 (S_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: 364
Temperature: 0.900000
Total energy: -563.511748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.511748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.113234 (E_RNA)
where:
Base-Base interactions energy: -379.947
where: short stacking energy: -152.658
Base-Backbone interact. energy: -0.800
local terms energy: -183.365838
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -40.542
flat angles C4'-P-C4' energy: -36.686
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -527.276051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.276051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.982834 (E_RNA)
where:
Base-Base interactions energy: -363.726
where: short stacking energy: -147.072
Base-Backbone interact. energy: -0.489
local terms energy: -163.767785
where:
bonds (distance) C4'-P energy: -33.719
bonds (distance) P-C4' energy: -35.002
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -41.563
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: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -517.951102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.951102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.793037 (E_RNA)
where:
Base-Base interactions energy: -358.871
where: short stacking energy: -150.547
Base-Backbone interact. energy: -0.260
local terms energy: -159.661754
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -35.375
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -40.215
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: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -517.024869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.024869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.838628 (E_RNA)
where:
Base-Base interactions energy: -356.759
where: short stacking energy: -142.238
Base-Backbone interact. energy: -0.322
local terms energy: -160.757180
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -39.520
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: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -499.270361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.270361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.465549 (E_RNA)
where:
Base-Base interactions energy: -352.621
where: short stacking energy: -138.686
Base-Backbone interact. energy: -0.631
local terms energy: -146.213758
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -34.001
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: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -482.698057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.698057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.892918 (E_RNA)
where:
Base-Base interactions energy: -345.139
where: short stacking energy: -129.816
Base-Backbone interact. energy: -1.174
local terms energy: -136.579903
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -33.640
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: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -462.972414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.972414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.254609 (E_RNA)
where:
Base-Base interactions energy: -323.224
where: short stacking energy: -125.740
Base-Backbone interact. energy: -0.572
local terms energy: -139.458624
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -36.532
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: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -454.714356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.714356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.102608 (E_RNA)
where:
Base-Base interactions energy: -323.265
where: short stacking energy: -123.318
Base-Backbone interact. energy: -0.366
local terms energy: -131.471448
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -28.953
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: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -425.419162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.419162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.484321 (E_RNA)
where:
Base-Base interactions energy: -305.724
where: short stacking energy: -107.187
Base-Backbone interact. energy: -0.741
local terms energy: -120.019229
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 1.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -383.803120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.803120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.069356 (E_RNA)
where:
Base-Base interactions energy: -269.800
where: short stacking energy: -111.500
Base-Backbone interact. energy: -0.413
local terms energy: -124.856193
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 11.266 (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: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -555.002868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.002868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.028680 (E_RNA)
where:
Base-Base interactions energy: -376.973
where: short stacking energy: -136.751
Base-Backbone interact. energy: -1.791
local terms energy: -176.263877
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -33.823
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -44.589
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -529.236491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.236491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.639472 (E_RNA)
where:
Base-Base interactions energy: -349.621
where: short stacking energy: -141.817
Base-Backbone interact. energy: -0.793
local terms energy: -180.225297
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -38.580
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -41.662
Dist. restrs. and SS energy: 1.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -540.200022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.200022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.065831 (E_RNA)
where:
Base-Base interactions energy: -387.244
where: short stacking energy: -158.820
Base-Backbone interact. energy: 0.672
local terms energy: -154.494711
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -38.511
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: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -501.316145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.316145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.074164 (E_RNA)
where:
Base-Base interactions energy: -355.125
where: short stacking energy: -138.816
Base-Backbone interact. energy: -1.760
local terms energy: -145.189674
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -37.411
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -515.270542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.270542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.892434 (E_RNA)
where:
Base-Base interactions energy: -364.138
where: short stacking energy: -154.657
Base-Backbone interact. energy: -0.065
local terms energy: -151.689594
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -35.160
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: 365
Temperature: 1.150000
Total energy: -487.202949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.202949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.230549 (E_RNA)
where:
Base-Base interactions energy: -335.523
where: short stacking energy: -131.822
Base-Backbone interact. energy: 2.982
local terms energy: -154.689609
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -39.803
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: 365
Temperature: 1.200000
Total energy: -481.984144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.984144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.229959 (E_RNA)
where:
Base-Base interactions energy: -337.241
where: short stacking energy: -144.320
Base-Backbone interact. energy: -0.722
local terms energy: -144.267071
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -38.863
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -449.406268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.406268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.831872 (E_RNA)
where:
Base-Base interactions energy: -314.493
where: short stacking energy: -128.346
Base-Backbone interact. energy: -0.966
local terms energy: -134.372719
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -36.328
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -436.874903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.874903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.632830 (E_RNA)
where:
Base-Base interactions energy: -317.504
where: short stacking energy: -123.065
Base-Backbone interact. energy: 0.761
local terms energy: -120.889612
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -29.309
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: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -415.934251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.934251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.406112 (E_RNA)
where:
Base-Base interactions energy: -280.653
where: short stacking energy: -111.188
Base-Backbone interact. energy: -0.134
local terms energy: -135.619077
where:
bonds (distance) C4'-P energy: -32.359
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -33.371
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: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -558.900309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.900309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.997877 (E_RNA)
where:
Base-Base interactions energy: -388.549
where: short stacking energy: -154.136
Base-Backbone interact. energy: -1.595
local terms energy: -168.854198
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -44.859
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: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -537.310709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.310709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.506211 (E_RNA)
where:
Base-Base interactions energy: -365.670
where: short stacking energy: -140.743
Base-Backbone interact. energy: -1.154
local terms energy: -170.683041
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -42.438
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -517.308949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.308949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.483486 (E_RNA)
where:
Base-Base interactions energy: -372.570
where: short stacking energy: -142.410
Base-Backbone interact. energy: -1.083
local terms energy: -143.830345
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -41.827
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -525.512615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.512615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.758602 (E_RNA)
where:
Base-Base interactions energy: -371.923
where: short stacking energy: -142.921
Base-Backbone interact. energy: -0.889
local terms energy: -152.947284
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -38.242
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -43.484
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -494.991662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.991662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.148820 (E_RNA)
where:
Base-Base interactions energy: -341.840
where: short stacking energy: -127.232
Base-Backbone interact. energy: -0.248
local terms energy: -153.060578
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -33.198
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: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -499.147554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.147554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.428764 (E_RNA)
where:
Base-Base interactions energy: -350.895
where: short stacking energy: -134.244
Base-Backbone interact. energy: 0.850
local terms energy: -149.383232
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -34.665
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: 366
Temperature: 1.200000
Total energy: -476.268624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.268624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.471730 (E_RNA)
where:
Base-Base interactions energy: -328.938
where: short stacking energy: -139.529
Base-Backbone interact. energy: -0.817
local terms energy: -146.716418
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -27.293
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -41.624
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: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -476.918365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.918365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.701047 (E_RNA)
where:
Base-Base interactions energy: -328.647
where: short stacking energy: -131.906
Base-Backbone interact. energy: -0.524
local terms energy: -148.530054
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -27.383
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -38.125
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: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -422.949692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.949692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.286348 (E_RNA)
where:
Base-Base interactions energy: -299.057
where: short stacking energy: -114.239
Base-Backbone interact. energy: 2.156
local terms energy: -126.384851
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -29.127
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -403.205302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.205302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.199684 (E_RNA)
where:
Base-Base interactions energy: -278.306
where: short stacking energy: -117.008
Base-Backbone interact. energy: 0.311
local terms energy: -126.204070
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -557.957271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.957271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.013273 (E_RNA)
where:
Base-Base interactions energy: -383.992
where: short stacking energy: -153.796
Base-Backbone interact. energy: -0.720
local terms energy: -173.302044
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -47.908
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: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -540.412867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.412867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.234279 (E_RNA)
where:
Base-Base interactions energy: -374.357
where: short stacking energy: -154.868
Base-Backbone interact. energy: -1.111
local terms energy: -165.766922
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -44.394
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: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -537.509845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.509845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.624274 (E_RNA)
where:
Base-Base interactions energy: -383.313
where: short stacking energy: -149.421
Base-Backbone interact. energy: 0.532
local terms energy: -154.843618
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -39.719
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: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -520.571026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.571026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.889575 (E_RNA)
where:
Base-Base interactions energy: -366.567
where: short stacking energy: -146.123
Base-Backbone interact. energy: -0.720
local terms energy: -153.602683
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -39.823
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -489.945305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.945305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.224792 (E_RNA)
where:
Base-Base interactions energy: -335.601
where: short stacking energy: -133.348
Base-Backbone interact. energy: 0.494
local terms energy: -155.118056
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -36.545
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: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -487.084985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.084985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.150106 (E_RNA)
where:
Base-Base interactions energy: -328.111
where: short stacking energy: -130.414
Base-Backbone interact. energy: 0.769
local terms energy: -159.808263
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -37.051
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: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -489.505495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.505495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.617444 (E_RNA)
where:
Base-Base interactions energy: -340.241
where: short stacking energy: -128.103
Base-Backbone interact. energy: -0.628
local terms energy: -148.748508
where:
bonds (distance) C4'-P energy: -27.261
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -435.274852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.274852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.240724 (E_RNA)
where:
Base-Base interactions energy: -305.035
where: short stacking energy: -102.549
Base-Backbone interact. energy: -0.719
local terms energy: -130.487309
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -470.171092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.171092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.677928 (E_RNA)
where:
Base-Base interactions energy: -311.006
where: short stacking energy: -116.914
Base-Backbone interact. energy: 0.407
local terms energy: -160.079335
where:
bonds (distance) C4'-P energy: -39.298
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -37.449
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: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -406.310544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.310544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.696418 (E_RNA)
where:
Base-Base interactions energy: -286.910
where: short stacking energy: -112.093
Base-Backbone interact. energy: -0.818
local terms energy: -118.969013
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -23.574
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: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -546.327191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.327191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.158542 (E_RNA)
where:
Base-Base interactions energy: -380.731
where: short stacking energy: -154.317
Base-Backbone interact. energy: -0.981
local terms energy: -165.446677
where:
bonds (distance) C4'-P energy: -37.079
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -40.515
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -542.851520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.851520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.108567 (E_RNA)
where:
Base-Base interactions energy: -371.718
where: short stacking energy: -143.651
Base-Backbone interact. energy: 1.218
local terms energy: -172.607673
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -42.466
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -536.291819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.291819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.435636 (E_RNA)
where:
Base-Base interactions energy: -359.764
where: short stacking energy: -144.627
Base-Backbone interact. energy: -0.945
local terms energy: -175.726501
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -41.295
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -521.936025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.936025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.376664 (E_RNA)
where:
Base-Base interactions energy: -357.785
where: short stacking energy: -148.682
Base-Backbone interact. energy: -2.201
local terms energy: -162.390186
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -40.513
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: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -484.991022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.991022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.805223 (E_RNA)
where:
Base-Base interactions energy: -338.466
where: short stacking energy: -133.183
Base-Backbone interact. energy: -1.156
local terms energy: -146.183308
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -39.400
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: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -487.639236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.639236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.660266 (E_RNA)
where:
Base-Base interactions energy: -341.348
where: short stacking energy: -133.094
Base-Backbone interact. energy: -0.647
local terms energy: -146.664889
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -34.620
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -464.692394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.692394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.785179 (E_RNA)
where:
Base-Base interactions energy: -333.255
where: short stacking energy: -124.786
Base-Backbone interact. energy: -0.283
local terms energy: -131.246878
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -29.767
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: 368
Temperature: 1.250000
Total energy: -440.324101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.324101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.850505 (E_RNA)
where:
Base-Base interactions energy: -318.488
where: short stacking energy: -115.059
Base-Backbone interact. energy: -0.828
local terms energy: -121.534468
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -25.178
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: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -449.738490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.738490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.217933 (E_RNA)
where:
Base-Base interactions energy: -316.426
where: short stacking energy: -116.599
Base-Backbone interact. energy: -0.063
local terms energy: -133.728646
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -37.036
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -412.012598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.012598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.837138 (E_RNA)
where:
Base-Base interactions energy: -286.846
where: short stacking energy: -105.554
Base-Backbone interact. energy: -0.311
local terms energy: -125.680633
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -30.489
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -33.457
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: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -549.786821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.786821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.164668 (E_RNA)
where:
Base-Base interactions energy: -379.334
where: short stacking energy: -146.441
Base-Backbone interact. energy: -0.827
local terms energy: -170.003910
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -45.817
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: 369
Temperature: 0.950000
Total energy: -551.988674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.988674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.211510 (E_RNA)
where:
Base-Base interactions energy: -382.353
where: short stacking energy: -143.846
Base-Backbone interact. energy: -0.870
local terms energy: -168.988386
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -44.067
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -531.351437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.351437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.765717 (E_RNA)
where:
Base-Base interactions energy: -374.307
where: short stacking energy: -148.375
Base-Backbone interact. energy: -0.404
local terms energy: -157.055154
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -40.299
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: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -513.271808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.271808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.406760 (E_RNA)
where:
Base-Base interactions energy: -350.037
where: short stacking energy: -147.307
Base-Backbone interact. energy: 0.337
local terms energy: -163.707004
where:
bonds (distance) C4'-P energy: -35.534
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -35.998
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: 369
Temperature: 1.100000
Total energy: -509.776734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.776734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.249864 (E_RNA)
where:
Base-Base interactions energy: -350.630
where: short stacking energy: -141.152
Base-Backbone interact. energy: -0.998
local terms energy: -158.621743
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -46.054
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: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -489.281715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.281715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.633771 (E_RNA)
where:
Base-Base interactions energy: -342.649
where: short stacking energy: -138.255
Base-Backbone interact. energy: 0.109
local terms energy: -147.094214
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -34.772
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -500.833974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.833974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.076990 (E_RNA)
where:
Base-Base interactions energy: -332.846
where: short stacking energy: -123.502
Base-Backbone interact. energy: -2.022
local terms energy: -166.208344
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -41.121
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -490.945387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.945387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.216153 (E_RNA)
where:
Base-Base interactions energy: -331.899
where: short stacking energy: -133.007
Base-Backbone interact. energy: -0.113
local terms energy: -160.204111
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -38.976
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -438.392153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.392153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.986022 (E_RNA)
where:
Base-Base interactions energy: -305.798
where: short stacking energy: -114.718
Base-Backbone interact. energy: -1.214
local terms energy: -131.974664
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -31.088
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: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -411.695372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.695372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.144325 (E_RNA)
where:
Base-Base interactions energy: -281.518
where: short stacking energy: -108.282
Base-Backbone interact. energy: -0.704
local terms energy: -130.922530
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -552.086600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.086600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.615806 (E_RNA)
where:
Base-Base interactions energy: -376.928
where: short stacking energy: -144.739
Base-Backbone interact. energy: -0.501
local terms energy: -175.186316
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -44.983
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -541.876594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.876594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.070428 (E_RNA)
where:
Base-Base interactions energy: -375.721
where: short stacking energy: -146.124
Base-Backbone interact. energy: -0.463
local terms energy: -165.886108
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -45.012
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: 370
Temperature: 1.000000
Total energy: -530.453234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.453234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.812538 (E_RNA)
where:
Base-Base interactions energy: -363.580
where: short stacking energy: -153.162
Base-Backbone interact. energy: -0.188
local terms energy: -167.044776
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -43.342
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: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -504.233244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.233244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.907389 (E_RNA)
where:
Base-Base interactions energy: -347.403
where: short stacking energy: -140.744
Base-Backbone interact. energy: -0.121
local terms energy: -157.383228
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -43.104
Dist. restrs. and SS energy: 0.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -525.096538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.096538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.506984 (E_RNA)
where:
Base-Base interactions energy: -360.405
where: short stacking energy: -147.910
Base-Backbone interact. energy: -0.292
local terms energy: -164.810372
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -45.419
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: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -502.704356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.704356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.881773 (E_RNA)
where:
Base-Base interactions energy: -350.666
where: short stacking energy: -142.442
Base-Backbone interact. energy: 0.260
local terms energy: -152.475531
where:
bonds (distance) C4'-P energy: -34.508
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -43.046
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: 370
Temperature: 1.200000
Total energy: -464.487092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.487092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.079696 (E_RNA)
where:
Base-Base interactions energy: -318.631
where: short stacking energy: -124.557
Base-Backbone interact. energy: -0.525
local terms energy: -145.923681
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -35.200
Dist. restrs. and SS energy: 0.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -451.865994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.865994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.702896 (E_RNA)
where:
Base-Base interactions energy: -324.072
where: short stacking energy: -125.795
Base-Backbone interact. energy: 1.175
local terms energy: -129.805000
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -434.828499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.828499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.409880 (E_RNA)
where:
Base-Base interactions energy: -321.666
where: short stacking energy: -121.955
Base-Backbone interact. energy: 4.046
local terms energy: -117.789879
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -31.430
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -434.189331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.189331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.581100 (E_RNA)
where:
Base-Base interactions energy: -299.568
where: short stacking energy: -113.323
Base-Backbone interact. energy: 0.592
local terms energy: -135.605563
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -33.976
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: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -559.149928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.149928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.875152 (E_RNA)
where:
Base-Base interactions energy: -389.851
where: short stacking energy: -138.867
Base-Backbone interact. energy: -1.295
local terms energy: -168.729053
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -39.734
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -544.468416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.468416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.934667 (E_RNA)
where:
Base-Base interactions energy: -388.208
where: short stacking energy: -152.471
Base-Backbone interact. energy: -0.876
local terms energy: -155.850352
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -36.194
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -45.097
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: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -528.628953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.628953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.484735 (E_RNA)
where:
Base-Base interactions energy: -375.332
where: short stacking energy: -152.587
Base-Backbone interact. energy: -0.329
local terms energy: -153.823556
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -45.494
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: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -525.339293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.339293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.912162 (E_RNA)
where:
Base-Base interactions energy: -359.591
where: short stacking energy: -144.227
Base-Backbone interact. energy: -2.402
local terms energy: -163.919634
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -32.820
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -39.657
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: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -497.667278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.667278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.761686 (E_RNA)
where:
Base-Base interactions energy: -353.890
where: short stacking energy: -142.633
Base-Backbone interact. energy: 0.708
local terms energy: -144.579294
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -44.049
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: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -494.354787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.354787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.495274 (E_RNA)
where:
Base-Base interactions energy: -344.688
where: short stacking energy: -142.366
Base-Backbone interact. energy: 0.052
local terms energy: -150.859276
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -47.153
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -479.579480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.579480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.264432 (E_RNA)
where:
Base-Base interactions energy: -332.858
where: short stacking energy: -127.680
Base-Backbone interact. energy: -0.435
local terms energy: -146.971479
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -38.258
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: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -443.945409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.601502 (E_RNA)
where:
Base-Base interactions energy: -316.079
where: short stacking energy: -121.469
Base-Backbone interact. energy: 0.085
local terms energy: -129.607667
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 1.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -453.626664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.626664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.149038 (E_RNA)
where:
Base-Base interactions energy: -328.441
where: short stacking energy: -115.106
Base-Backbone interact. energy: 0.370
local terms energy: -126.077496
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -34.712
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: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -422.971658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.458904 (E_RNA)
where:
Base-Base interactions energy: -282.987
where: short stacking energy: -106.865
Base-Backbone interact. energy: 1.334
local terms energy: -141.806387
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -26.853
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: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -554.775624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.775624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.539737 (E_RNA)
where:
Base-Base interactions energy: -372.714
where: short stacking energy: -156.624
Base-Backbone interact. energy: 0.386
local terms energy: -183.211563
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -47.043
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -559.211222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.211222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.682202 (E_RNA)
where:
Base-Base interactions energy: -385.182
where: short stacking energy: -145.356
Base-Backbone interact. energy: -0.496
local terms energy: -175.004168
where:
bonds (distance) C4'-P energy: -37.352
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -527.894349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.894349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.619276 (E_RNA)
where:
Base-Base interactions energy: -371.147
where: short stacking energy: -146.788
Base-Backbone interact. energy: 0.641
local terms energy: -158.113082
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -40.085
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -494.548480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.548480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.687457 (E_RNA)
where:
Base-Base interactions energy: -345.503
where: short stacking energy: -139.146
Base-Backbone interact. energy: -0.329
local terms energy: -149.855324
where:
bonds (distance) C4'-P energy: -31.743
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -510.204451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.204451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.371034 (E_RNA)
where:
Base-Base interactions energy: -353.793
where: short stacking energy: -150.749
Base-Backbone interact. energy: -0.146
local terms energy: -156.432278
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -41.307
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: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -467.912752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.912752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.333960 (E_RNA)
where:
Base-Base interactions energy: -314.190
where: short stacking energy: -119.653
Base-Backbone interact. energy: -0.478
local terms energy: -153.666544
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -33.601
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -472.686331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.686331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.832778 (E_RNA)
where:
Base-Base interactions energy: -333.446
where: short stacking energy: -138.003
Base-Backbone interact. energy: 0.486
local terms energy: -139.873110
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -35.622
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: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -452.920781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.920781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.020898 (E_RNA)
where:
Base-Base interactions energy: -308.239
where: short stacking energy: -112.547
Base-Backbone interact. energy: -1.196
local terms energy: -144.586542
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 1.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -435.445138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.445138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.991209 (E_RNA)
where:
Base-Base interactions energy: -303.757
where: short stacking energy: -111.058
Base-Backbone interact. energy: 1.733
local terms energy: -133.966992
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -27.020
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: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -420.895370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.895370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.023956 (E_RNA)
where:
Base-Base interactions energy: -288.511
where: short stacking energy: -104.297
Base-Backbone interact. energy: -0.919
local terms energy: -131.594370
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -28.591
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: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -547.707312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.707312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.939957 (E_RNA)
where:
Base-Base interactions energy: -368.196
where: short stacking energy: -153.709
Base-Backbone interact. energy: -1.696
local terms energy: -178.048109
where:
bonds (distance) C4'-P energy: -33.578
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -45.446
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -541.653479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.653479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.161862 (E_RNA)
where:
Base-Base interactions energy: -382.895
where: short stacking energy: -147.846
Base-Backbone interact. energy: -0.812
local terms energy: -158.454016
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -31.816
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -532.667905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.667905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.025834 (E_RNA)
where:
Base-Base interactions energy: -360.341
where: short stacking energy: -155.094
Base-Backbone interact. energy: -0.593
local terms energy: -172.092349
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -40.315
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -41.934
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: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -507.057698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.057698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.290567 (E_RNA)
where:
Base-Base interactions energy: -350.321
where: short stacking energy: -148.894
Base-Backbone interact. energy: -0.642
local terms energy: -156.328284
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -46.176
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -501.570553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.570553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.932175 (E_RNA)
where:
Base-Base interactions energy: -349.994
where: short stacking energy: -134.951
Base-Backbone interact. energy: -0.896
local terms energy: -152.041500
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 1.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -469.044526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.044526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.497321 (E_RNA)
where:
Base-Base interactions energy: -324.979
where: short stacking energy: -119.919
Base-Backbone interact. energy: -0.556
local terms energy: -143.962095
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -34.043
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: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -462.607301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.607301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.719065 (E_RNA)
where:
Base-Base interactions energy: -319.086
where: short stacking energy: -121.456
Base-Backbone interact. energy: -1.319
local terms energy: -142.313802
where:
bonds (distance) C4'-P energy: -32.790
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -32.916
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -441.171753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.171753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.452777 (E_RNA)
where:
Base-Base interactions energy: -316.247
where: short stacking energy: -120.211
Base-Backbone interact. energy: -0.051
local terms energy: -126.154956
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -433.761009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.761009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.318276 (E_RNA)
where:
Base-Base interactions energy: -287.693
where: short stacking energy: -115.786
Base-Backbone interact. energy: 0.349
local terms energy: -147.973945
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -34.505
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -429.445102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.445102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.908077 (E_RNA)
where:
Base-Base interactions energy: -300.643
where: short stacking energy: -114.056
Base-Backbone interact. energy: -0.270
local terms energy: -128.995445
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -29.050
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -553.211976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.211976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.558508 (E_RNA)
where:
Base-Base interactions energy: -378.450
where: short stacking energy: -157.216
Base-Backbone interact. energy: 0.407
local terms energy: -175.515022
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -40.988
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -45.502
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -539.867584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.867584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.376358 (E_RNA)
where:
Base-Base interactions energy: -377.406
where: short stacking energy: -155.531
Base-Backbone interact. energy: -0.457
local terms energy: -162.512924
where:
bonds (distance) C4'-P energy: -32.061
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -41.844
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: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -537.445239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.445239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.670315 (E_RNA)
where:
Base-Base interactions energy: -365.087
where: short stacking energy: -149.762
Base-Backbone interact. energy: 0.110
local terms energy: -172.693704
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -47.348
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -525.687448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.687448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.090476 (E_RNA)
where:
Base-Base interactions energy: -364.729
where: short stacking energy: -145.836
Base-Backbone interact. energy: -0.718
local terms energy: -160.643896
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -41.683
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: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -503.445846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.445846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.006405 (E_RNA)
where:
Base-Base interactions energy: -356.817
where: short stacking energy: -148.758
Base-Backbone interact. energy: -1.379
local terms energy: -145.810053
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -36.699
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -474.366816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.366816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.736064 (E_RNA)
where:
Base-Base interactions energy: -320.442
where: short stacking energy: -126.531
Base-Backbone interact. energy: 1.219
local terms energy: -155.513016
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -475.310058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.310058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.325483 (E_RNA)
where:
Base-Base interactions energy: -326.429
where: short stacking energy: -125.503
Base-Backbone interact. energy: -1.139
local terms energy: -147.757381
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -34.779
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -472.313658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.313658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.824736 (E_RNA)
where:
Base-Base interactions energy: -325.231
where: short stacking energy: -127.980
Base-Backbone interact. energy: -0.893
local terms energy: -146.700444
where:
bonds (distance) C4'-P energy: -26.252
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -32.856
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: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -443.948594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.948594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.170307 (E_RNA)
where:
Base-Base interactions energy: -310.802
where: short stacking energy: -120.362
Base-Backbone interact. energy: 1.926
local terms energy: -136.294000
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 1.222 (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: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -442.141549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.141549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.545393 (E_RNA)
where:
Base-Base interactions energy: -310.868
where: short stacking energy: -120.162
Base-Backbone interact. energy: -0.772
local terms energy: -130.905610
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -35.799
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: 375
Temperature: 0.900000
Total energy: -547.329503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.329503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.637480 (E_RNA)
where:
Base-Base interactions energy: -370.230
where: short stacking energy: -139.706
Base-Backbone interact. energy: -0.639
local terms energy: -176.768596
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -50.061
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: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -545.443346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.443346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.370534 (E_RNA)
where:
Base-Base interactions energy: -373.015
where: short stacking energy: -152.932
Base-Backbone interact. energy: -1.355
local terms energy: -172.000855
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -46.055
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: 3, replica: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -533.589533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.589533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.896249 (E_RNA)
where:
Base-Base interactions energy: -370.219
where: short stacking energy: -155.970
Base-Backbone interact. energy: -1.025
local terms energy: -162.652324
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -35.801
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -42.134
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: 375
Temperature: 1.050000
Total energy: -511.442736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.442736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.609245 (E_RNA)
where:
Base-Base interactions energy: -356.458
where: short stacking energy: -150.526
Base-Backbone interact. energy: 1.340
local terms energy: -156.490668
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -39.456
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -510.864882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.434439 (E_RNA)
where:
Base-Base interactions energy: -358.833
where: short stacking energy: -151.629
Base-Backbone interact. energy: -0.430
local terms energy: -152.171750
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -44.380
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -462.444197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.444197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.920123 (E_RNA)
where:
Base-Base interactions energy: -310.629
where: short stacking energy: -126.054
Base-Backbone interact. energy: -0.597
local terms energy: -151.694510
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -38.840
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: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -477.318400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.318400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.175760 (E_RNA)
where:
Base-Base interactions energy: -318.607
where: short stacking energy: -133.250
Base-Backbone interact. energy: -1.074
local terms energy: -158.494873
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -461.805676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.805676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.420639 (E_RNA)
where:
Base-Base interactions energy: -315.207
where: short stacking energy: -123.449
Base-Backbone interact. energy: -1.670
local terms energy: -146.542965
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 1.615 (S_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: 375
Temperature: 1.300000
Total energy: -426.579644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.579644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.217669 (E_RNA)
where:
Base-Base interactions energy: -287.513
where: short stacking energy: -113.079
Base-Backbone interact. energy: -0.757
local terms energy: -138.947993
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -31.198
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: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -432.775481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.775481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.430143 (E_RNA)
where:
Base-Base interactions energy: -302.591
where: short stacking energy: -117.512
Base-Backbone interact. energy: -1.133
local terms energy: -130.707011
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 1.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -552.427032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.427032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.144633 (E_RNA)
where:
Base-Base interactions energy: -388.794
where: short stacking energy: -154.923
Base-Backbone interact. energy: 0.250
local terms energy: -164.600665
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -44.298
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: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -545.011425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.011425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.105866 (E_RNA)
where:
Base-Base interactions energy: -374.945
where: short stacking energy: -149.265
Base-Backbone interact. energy: -0.391
local terms energy: -169.769703
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -45.632
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -536.858050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.858050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.907205 (E_RNA)
where:
Base-Base interactions energy: -365.767
where: short stacking energy: -144.528
Base-Backbone interact. energy: -0.807
local terms energy: -170.333641
where:
bonds (distance) C4'-P energy: -32.799
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -43.252
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -518.320665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.320665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.700712 (E_RNA)
where:
Base-Base interactions energy: -362.921
where: short stacking energy: -153.026
Base-Backbone interact. energy: -1.326
local terms energy: -154.453808
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -40.745
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -511.933966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.933966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.203184 (E_RNA)
where:
Base-Base interactions energy: -356.315
where: short stacking energy: -149.347
Base-Backbone interact. energy: -0.850
local terms energy: -155.037689
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -39.949
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: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -484.317412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.317412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.800626 (E_RNA)
where:
Base-Base interactions energy: -330.821
where: short stacking energy: -129.744
Base-Backbone interact. energy: -1.908
local terms energy: -152.071236
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -42.033
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -471.434755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.581870 (E_RNA)
where:
Base-Base interactions energy: -328.429
where: short stacking energy: -136.129
Base-Backbone interact. energy: -1.234
local terms energy: -141.919410
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -35.601
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -40.476
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -457.610531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.610531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.060036 (E_RNA)
where:
Base-Base interactions energy: -316.862
where: short stacking energy: -118.822
Base-Backbone interact. energy: 0.387
local terms energy: -141.585293
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -445.189341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.189341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.595702 (E_RNA)
where:
Base-Base interactions energy: -299.888
where: short stacking energy: -121.876
Base-Backbone interact. energy: -0.713
local terms energy: -144.994379
where:
bonds (distance) C4'-P energy: -34.170
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -33.152
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: 376
Temperature: 1.350000
Total energy: -418.821594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.821594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.780888 (E_RNA)
where:
Base-Base interactions energy: -295.469
where: short stacking energy: -119.501
Base-Backbone interact. energy: -0.317
local terms energy: -123.995536
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -547.334412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.334412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.899364 (E_RNA)
where:
Base-Base interactions energy: -386.065
where: short stacking energy: -160.230
Base-Backbone interact. energy: 2.272
local terms energy: -164.106433
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -40.470
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: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -538.667150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.667150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.396963 (E_RNA)
where:
Base-Base interactions energy: -364.916
where: short stacking energy: -156.013
Base-Backbone interact. energy: -1.232
local terms energy: -173.248824
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -544.362627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.362627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.761322 (E_RNA)
where:
Base-Base interactions energy: -364.378
where: short stacking energy: -146.034
Base-Backbone interact. energy: -0.542
local terms energy: -179.841231
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -43.229
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -521.619703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.054200 (E_RNA)
where:
Base-Base interactions energy: -357.272
where: short stacking energy: -141.769
Base-Backbone interact. energy: -0.989
local terms energy: -163.792832
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -39.534
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -42.714
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -490.437251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.437251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.128108 (E_RNA)
where:
Base-Base interactions energy: -346.977
where: short stacking energy: -138.881
Base-Backbone interact. energy: -0.607
local terms energy: -143.544708
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -34.803
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: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -494.714653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.714653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.128232 (E_RNA)
where:
Base-Base interactions energy: -349.852
where: short stacking energy: -139.315
Base-Backbone interact. energy: -0.907
local terms energy: -144.369457
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -39.620
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: 377
Temperature: 1.200000
Total energy: -461.042506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.042506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.515490 (E_RNA)
where:
Base-Base interactions energy: -315.384
where: short stacking energy: -132.356
Base-Backbone interact. energy: -0.995
local terms energy: -145.136211
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -38.680
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -469.774050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.774050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.409926 (E_RNA)
where:
Base-Base interactions energy: -322.946
where: short stacking energy: -121.628
Base-Backbone interact. energy: 1.071
local terms energy: -148.535521
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -31.594
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -40.461
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: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -438.707359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.707359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.115456 (E_RNA)
where:
Base-Base interactions energy: -310.617
where: short stacking energy: -123.796
Base-Backbone interact. energy: -0.289
local terms energy: -128.209209
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -30.301
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: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -433.886830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.886830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.870908 (E_RNA)
where:
Base-Base interactions energy: -314.348
where: short stacking energy: -123.932
Base-Backbone interact. energy: 2.429
local terms energy: -122.952020
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -546.666609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.666609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.407559 (E_RNA)
where:
Base-Base interactions energy: -383.215
where: short stacking energy: -154.839
Base-Backbone interact. energy: -1.031
local terms energy: -163.161325
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -38.986
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: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -524.544910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.544910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.770658 (E_RNA)
where:
Base-Base interactions energy: -367.968
where: short stacking energy: -144.820
Base-Backbone interact. energy: 0.357
local terms energy: -158.159665
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -36.304
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -39.022
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -537.696412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.696412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.841971 (E_RNA)
where:
Base-Base interactions energy: -374.721
where: short stacking energy: -138.650
Base-Backbone interact. energy: -0.621
local terms energy: -162.500662
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -47.345
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -513.564682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.564682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.877414 (E_RNA)
where:
Base-Base interactions energy: -362.384
where: short stacking energy: -142.289
Base-Backbone interact. energy: -0.199
local terms energy: -151.294085
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -40.030
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: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -496.990062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.990062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.198782 (E_RNA)
where:
Base-Base interactions energy: -349.225
where: short stacking energy: -138.150
Base-Backbone interact. energy: 0.170
local terms energy: -148.144546
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -35.266
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -486.462728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.462728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.764474 (E_RNA)
where:
Base-Base interactions energy: -333.172
where: short stacking energy: -134.834
Base-Backbone interact. energy: -0.412
local terms energy: -153.180291
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -25.623
flat angles C4'-P-C4' energy: -34.836
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -40.289
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: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -478.374108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.374108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.259950 (E_RNA)
where:
Base-Base interactions energy: -338.170
where: short stacking energy: -130.061
Base-Backbone interact. energy: -1.659
local terms energy: -139.430312
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -36.640
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -480.050826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.050826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.473245 (E_RNA)
where:
Base-Base interactions energy: -348.308
where: short stacking energy: -139.732
Base-Backbone interact. energy: -0.244
local terms energy: -131.921059
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -35.151
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -442.918223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.918223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.766297 (E_RNA)
where:
Base-Base interactions energy: -307.560
where: short stacking energy: -125.105
Base-Backbone interact. energy: -0.392
local terms energy: -136.813948
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -39.116
Dist. restrs. and SS energy: 1.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -424.879409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.879409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.769587 (E_RNA)
where:
Base-Base interactions energy: -284.811
where: short stacking energy: -120.441
Base-Backbone interact. energy: -0.949
local terms energy: -140.009385
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -548.906695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.906695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.763190 (E_RNA)
where:
Base-Base interactions energy: -380.438
where: short stacking energy: -152.031
Base-Backbone interact. energy: -0.884
local terms energy: -168.441549
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -40.797
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: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -531.109491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.109491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.265299 (E_RNA)
where:
Base-Base interactions energy: -368.086
where: short stacking energy: -148.739
Base-Backbone interact. energy: -1.765
local terms energy: -161.414672
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -41.935
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: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -542.025912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.025912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.549056 (E_RNA)
where:
Base-Base interactions energy: -370.304
where: short stacking energy: -154.179
Base-Backbone interact. energy: 0.977
local terms energy: -173.221493
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -49.142
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -514.547267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.547267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.929582 (E_RNA)
where:
Base-Base interactions energy: -344.984
where: short stacking energy: -149.267
Base-Backbone interact. energy: 2.309
local terms energy: -172.254347
where:
bonds (distance) C4'-P energy: -31.577
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -45.954
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -500.862666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.862666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.727903 (E_RNA)
where:
Base-Base interactions energy: -341.503
where: short stacking energy: -141.106
Base-Backbone interact. energy: -0.870
local terms energy: -159.354876
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -41.903
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: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -515.448392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.448392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.668628 (E_RNA)
where:
Base-Base interactions energy: -357.814
where: short stacking energy: -146.491
Base-Backbone interact. energy: -0.496
local terms energy: -157.358558
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -475.569803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.569803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.470041 (E_RNA)
where:
Base-Base interactions energy: -329.776
where: short stacking energy: -139.922
Base-Backbone interact. energy: -0.305
local terms energy: -146.388900
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -38.070
Dist. restrs. and SS energy: 0.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -478.395833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.395833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.695949 (E_RNA)
where:
Base-Base interactions energy: -349.039
where: short stacking energy: -140.737
Base-Backbone interact. energy: 0.243
local terms energy: -129.900303
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -31.766
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: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -428.654804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.654804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.223127 (E_RNA)
where:
Base-Base interactions energy: -300.545
where: short stacking energy: -107.591
Base-Backbone interact. energy: -0.077
local terms energy: -129.601063
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -424.119395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.119395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.093263 (E_RNA)
where:
Base-Base interactions energy: -297.376
where: short stacking energy: -116.108
Base-Backbone interact. energy: -0.612
local terms energy: -127.105459
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -27.102
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: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -534.687735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.687735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.491904 (E_RNA)
where:
Base-Base interactions energy: -373.490
where: short stacking energy: -138.111
Base-Backbone interact. energy: -0.409
local terms energy: -161.592668
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -39.471
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: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -544.271654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.271654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.245133 (E_RNA)
where:
Base-Base interactions energy: -375.166
where: short stacking energy: -154.513
Base-Backbone interact. energy: -0.357
local terms energy: -169.722252
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -45.004
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -529.335907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.335907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.841068 (E_RNA)
where:
Base-Base interactions energy: -366.732
where: short stacking energy: -148.128
Base-Backbone interact. energy: -0.953
local terms energy: -162.156181
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -42.567
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: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -510.340359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.340359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.412968 (E_RNA)
where:
Base-Base interactions energy: -358.346
where: short stacking energy: -140.809
Base-Backbone interact. energy: -0.767
local terms energy: -151.299762
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -39.071
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: 380
Temperature: 1.100000
Total energy: -545.478876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.478876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.236184 (E_RNA)
where:
Base-Base interactions energy: -367.744
where: short stacking energy: -164.498
Base-Backbone interact. energy: 0.435
local terms energy: -178.927471
where:
bonds (distance) C4'-P energy: -32.534
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -42.411
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -43.874
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: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -496.878084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.878084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.151614 (E_RNA)
where:
Base-Base interactions energy: -349.499
where: short stacking energy: -140.290
Base-Backbone interact. energy: 0.926
local terms energy: -148.579350
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -38.264
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: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -477.480190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.480190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.724547 (E_RNA)
where:
Base-Base interactions energy: -326.613
where: short stacking energy: -144.805
Base-Backbone interact. energy: 4.281
local terms energy: -155.392565
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -39.532
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: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -460.246966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.246966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.554981 (E_RNA)
where:
Base-Base interactions energy: -317.535
where: short stacking energy: -121.883
Base-Backbone interact. energy: 0.266
local terms energy: -143.286505
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -36.272
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: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -444.449120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.449120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.978687 (E_RNA)
where:
Base-Base interactions energy: -301.022
where: short stacking energy: -123.220
Base-Backbone interact. energy: -0.417
local terms energy: -143.540367
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -30.286
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: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -430.242131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.242131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.653812 (E_RNA)
where:
Base-Base interactions energy: -311.032
where: short stacking energy: -117.092
Base-Backbone interact. energy: -1.656
local terms energy: -118.965416
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -534.409359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.409359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.946192 (E_RNA)
where:
Base-Base interactions energy: -364.605
where: short stacking energy: -151.883
Base-Backbone interact. energy: 0.208
local terms energy: -170.549523
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -45.651
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: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -550.729671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.729671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.228833 (E_RNA)
where:
Base-Base interactions energy: -373.210
where: short stacking energy: -154.337
Base-Backbone interact. energy: -0.678
local terms energy: -177.340736
where:
bonds (distance) C4'-P energy: -34.219
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -528.016163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.016163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.136032 (E_RNA)
where:
Base-Base interactions energy: -351.222
where: short stacking energy: -143.142
Base-Backbone interact. energy: -1.309
local terms energy: -175.605409
where:
bonds (distance) C4'-P energy: -38.405
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -43.400
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: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -519.515653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.515653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.820510 (E_RNA)
where:
Base-Base interactions energy: -352.765
where: short stacking energy: -144.290
Base-Backbone interact. energy: -0.528
local terms energy: -166.528040
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -41.304
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -510.885603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.885603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.920680 (E_RNA)
where:
Base-Base interactions energy: -347.863
where: short stacking energy: -143.177
Base-Backbone interact. energy: 0.570
local terms energy: -163.627866
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -487.831408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.831408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.241514 (E_RNA)
where:
Base-Base interactions energy: -346.964
where: short stacking energy: -140.583
Base-Backbone interact. energy: -0.471
local terms energy: -140.807275
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -41.964
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -483.113008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.113008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.581408 (E_RNA)
where:
Base-Base interactions energy: -329.898
where: short stacking energy: -123.848
Base-Backbone interact. energy: -0.241
local terms energy: -154.442162
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 1.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -431.427026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.427026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.455128 (E_RNA)
where:
Base-Base interactions energy: -295.692
where: short stacking energy: -109.414
Base-Backbone interact. energy: -1.209
local terms energy: -135.553998
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -432.846750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.846750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.243594 (E_RNA)
where:
Base-Base interactions energy: -305.501
where: short stacking energy: -116.820
Base-Backbone interact. energy: -0.829
local terms energy: -126.914378
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -31.360
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: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -420.992024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.992024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.292287 (E_RNA)
where:
Base-Base interactions energy: -293.666
where: short stacking energy: -109.172
Base-Backbone interact. energy: -0.011
local terms energy: -129.614663
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -34.335
Dist. restrs. and SS energy: 2.300 (S_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: 382
Temperature: 0.900000
Total energy: -551.784308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.784308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.502798 (E_RNA)
where:
Base-Base interactions energy: -376.984
where: short stacking energy: -148.852
Base-Backbone interact. energy: -1.375
local terms energy: -174.143531
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -43.998
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: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -525.066706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.066706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.640659 (E_RNA)
where:
Base-Base interactions energy: -365.471
where: short stacking energy: -153.587
Base-Backbone interact. energy: -0.615
local terms energy: -159.553996
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -518.604940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.604940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.264772 (E_RNA)
where:
Base-Base interactions energy: -365.089
where: short stacking energy: -147.879
Base-Backbone interact. energy: -0.747
local terms energy: -153.428607
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -36.403
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: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -526.192750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.192750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.553755 (E_RNA)
where:
Base-Base interactions energy: -371.654
where: short stacking energy: -142.245
Base-Backbone interact. energy: 0.116
local terms energy: -155.015847
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -41.199
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: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -492.809301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.809301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.646872 (E_RNA)
where:
Base-Base interactions energy: -349.721
where: short stacking energy: -147.614
Base-Backbone interact. energy: -0.845
local terms energy: -143.081600
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -40.299
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: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -504.635356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.635356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.318284 (E_RNA)
where:
Base-Base interactions energy: -345.162
where: short stacking energy: -140.310
Base-Backbone interact. energy: -1.020
local terms energy: -159.136342
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -40.344
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: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -474.365247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.365247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.771313 (E_RNA)
where:
Base-Base interactions energy: -329.530
where: short stacking energy: -127.450
Base-Backbone interact. energy: -1.689
local terms energy: -143.552303
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -38.108
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: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -439.899337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.899337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.376980 (E_RNA)
where:
Base-Base interactions energy: -316.757
where: short stacking energy: -118.643
Base-Backbone interact. energy: -0.010
local terms energy: -123.610685
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -449.605372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.605372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.057898 (E_RNA)
where:
Base-Base interactions energy: -330.436
where: short stacking energy: -132.569
Base-Backbone interact. energy: 1.958
local terms energy: -121.579742
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -33.089
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: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -445.602655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.602655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.532806 (E_RNA)
where:
Base-Base interactions energy: -308.135
where: short stacking energy: -110.000
Base-Backbone interact. energy: -0.916
local terms energy: -137.482495
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -30.090
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -552.623179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.623179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.322475 (E_RNA)
where:
Base-Base interactions energy: -382.591
where: short stacking energy: -167.275
Base-Backbone interact. energy: -0.703
local terms energy: -170.028268
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -29.886
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -50.147
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -534.932642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.932642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.118907 (E_RNA)
where:
Base-Base interactions energy: -387.302
where: short stacking energy: -159.541
Base-Backbone interact. energy: -0.442
local terms energy: -147.375423
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -45.624
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: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -528.590055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.590055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.127784 (E_RNA)
where:
Base-Base interactions energy: -365.318
where: short stacking energy: -146.318
Base-Backbone interact. energy: -0.592
local terms energy: -163.217906
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -34.436
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -516.772576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.772576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.926833 (E_RNA)
where:
Base-Base interactions energy: -343.642
where: short stacking energy: -139.555
Base-Backbone interact. energy: -0.139
local terms energy: -173.146539
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -39.992
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -40.913
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -505.526556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.853779 (E_RNA)
where:
Base-Base interactions energy: -347.900
where: short stacking energy: -139.965
Base-Backbone interact. energy: -0.493
local terms energy: -157.460773
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -34.600
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: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -504.392995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.392995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.924711 (E_RNA)
where:
Base-Base interactions energy: -343.498
where: short stacking energy: -135.686
Base-Backbone interact. energy: -0.491
local terms energy: -160.934988
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -40.407
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -464.722827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.722827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.136292 (E_RNA)
where:
Base-Base interactions energy: -321.761
where: short stacking energy: -129.090
Base-Backbone interact. energy: 0.681
local terms energy: -146.056090
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -34.544
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 2.413 (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: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -466.682958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.682958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.647681 (E_RNA)
where:
Base-Base interactions energy: -326.131
where: short stacking energy: -117.637
Base-Backbone interact. energy: -0.583
local terms energy: -140.933640
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -426.168513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.168513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.297140 (E_RNA)
where:
Base-Base interactions energy: -303.452
where: short stacking energy: -123.697
Base-Backbone interact. energy: -0.535
local terms energy: -122.310148
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -34.922
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: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -407.052544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.052544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.286688 (E_RNA)
where:
Base-Base interactions energy: -284.213
where: short stacking energy: -97.749
Base-Backbone interact. energy: 0.523
local terms energy: -123.596426
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -21.108
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: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -553.251562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.251562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.357259 (E_RNA)
where:
Base-Base interactions energy: -387.220
where: short stacking energy: -161.704
Base-Backbone interact. energy: 3.244
local terms energy: -169.382050
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -38.449
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -47.011
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: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -544.152662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.152662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.382085 (E_RNA)
where:
Base-Base interactions energy: -370.891
where: short stacking energy: -156.497
Base-Backbone interact. energy: 1.067
local terms energy: -174.558669
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -37.446
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -45.175
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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -518.555220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.555220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.998264 (E_RNA)
where:
Base-Base interactions energy: -344.047
where: short stacking energy: -136.939
Base-Backbone interact. energy: -1.833
local terms energy: -173.118546
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -37.578
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: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -515.148776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.148776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.472771 (E_RNA)
where:
Base-Base interactions energy: -350.133
where: short stacking energy: -144.609
Base-Backbone interact. energy: -1.536
local terms energy: -163.803124
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -40.872
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: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -491.143487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.143487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.800522 (E_RNA)
where:
Base-Base interactions energy: -340.065
where: short stacking energy: -132.130
Base-Backbone interact. energy: -1.119
local terms energy: -150.617113
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -43.873
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: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -484.760646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.760646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.690922 (E_RNA)
where:
Base-Base interactions energy: -332.319
where: short stacking energy: -126.692
Base-Backbone interact. energy: -0.771
local terms energy: -152.600048
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -37.081
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -479.230230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.230230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.676723 (E_RNA)
where:
Base-Base interactions energy: -326.549
where: short stacking energy: -135.044
Base-Backbone interact. energy: -0.823
local terms energy: -152.305176
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -34.000
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: 384
Temperature: 1.250000
Total energy: -473.209195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.209195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.735457 (E_RNA)
where:
Base-Base interactions energy: -322.636
where: short stacking energy: -124.450
Base-Backbone interact. energy: -0.764
local terms energy: -150.335378
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -34.643
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -39.385
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: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -428.718181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.718181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.008065 (E_RNA)
where:
Base-Base interactions energy: -293.200
where: short stacking energy: -110.408
Base-Backbone interact. energy: -0.094
local terms energy: -135.713652
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -30.645
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: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -384.729910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.729910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.995198 (E_RNA)
where:
Base-Base interactions energy: -269.252
where: short stacking energy: -103.650
Base-Backbone interact. energy: -0.295
local terms energy: -116.447752
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -547.873081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.873081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.391970 (E_RNA)
where:
Base-Base interactions energy: -364.966
where: short stacking energy: -158.011
Base-Backbone interact. energy: 2.456
local terms energy: -185.881961
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -43.722
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: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -546.515762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.515762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.018664 (E_RNA)
where:
Base-Base interactions energy: -370.790
where: short stacking energy: -152.451
Base-Backbone interact. energy: -0.756
local terms energy: -175.472633
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -528.880537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.880537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.015978 (E_RNA)
where:
Base-Base interactions energy: -363.149
where: short stacking energy: -157.843
Base-Backbone interact. energy: 0.255
local terms energy: -166.121713
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -49.149
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: 385
Temperature: 1.050000
Total energy: -533.187348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.187348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.483161 (E_RNA)
where:
Base-Base interactions energy: -371.300
where: short stacking energy: -147.285
Base-Backbone interact. energy: -1.564
local terms energy: -160.619413
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -46.600
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -505.843330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.843330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.492709 (E_RNA)
where:
Base-Base interactions energy: -349.682
where: short stacking energy: -141.719
Base-Backbone interact. energy: -2.475
local terms energy: -154.336347
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -42.740
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: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -492.501789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.501789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.145854 (E_RNA)
where:
Base-Base interactions energy: -341.460
where: short stacking energy: -138.638
Base-Backbone interact. energy: -1.135
local terms energy: -150.550492
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -39.541
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -480.513190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.513190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.269711 (E_RNA)
where:
Base-Base interactions energy: -335.673
where: short stacking energy: -128.347
Base-Backbone interact. energy: 0.548
local terms energy: -146.144618
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -40.614
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: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -445.833279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.833279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.112540 (E_RNA)
where:
Base-Base interactions energy: -311.635
where: short stacking energy: -109.471
Base-Backbone interact. energy: -0.386
local terms energy: -134.091561
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -443.977056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.977056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.656386 (E_RNA)
where:
Base-Base interactions energy: -290.795
where: short stacking energy: -108.686
Base-Backbone interact. energy: -0.884
local terms energy: -152.977421
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -35.466
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: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -434.239467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.239467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.433499 (E_RNA)
where:
Base-Base interactions energy: -314.938
where: short stacking energy: -115.053
Base-Backbone interact. energy: -1.247
local terms energy: -118.248009
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -26.070
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: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -538.978143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.978143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.099749 (E_RNA)
where:
Base-Base interactions energy: -365.179
where: short stacking energy: -148.676
Base-Backbone interact. energy: -0.630
local terms energy: -173.290541
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -48.021
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: 386
Temperature: 0.950000
Total energy: -539.264342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.264342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.446465 (E_RNA)
where:
Base-Base interactions energy: -372.283
where: short stacking energy: -158.557
Base-Backbone interact. energy: 2.458
local terms energy: -169.621041
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -44.143
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -526.258965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.258965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.239283 (E_RNA)
where:
Base-Base interactions energy: -361.470
where: short stacking energy: -144.092
Base-Backbone interact. energy: 2.060
local terms energy: -167.829614
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -33.484
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -37.064
Dist. restrs. and SS energy: 0.980 (S_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: -510.293645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.293645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.667728 (E_RNA)
where:
Base-Base interactions energy: -350.272
where: short stacking energy: -133.753
Base-Backbone interact. energy: -1.409
local terms energy: -158.986059
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -38.520
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: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -485.902792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.902792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.255915 (E_RNA)
where:
Base-Base interactions energy: -342.134
where: short stacking energy: -138.783
Base-Backbone interact. energy: 2.944
local terms energy: -147.065559
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -33.195
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -40.770
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -504.847164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.847164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.832604 (E_RNA)
where:
Base-Base interactions energy: -361.877
where: short stacking energy: -142.378
Base-Backbone interact. energy: -0.324
local terms energy: -143.631946
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -458.881426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.881426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.336535 (E_RNA)
where:
Base-Base interactions energy: -318.027
where: short stacking energy: -120.968
Base-Backbone interact. energy: 0.096
local terms energy: -141.405245
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -451.436229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.436229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.729217 (E_RNA)
where:
Base-Base interactions energy: -312.453
where: short stacking energy: -112.617
Base-Backbone interact. energy: -0.748
local terms energy: -138.527731
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -39.603
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: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -456.222778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.222778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.205298 (E_RNA)
where:
Base-Base interactions energy: -314.145
where: short stacking energy: -117.608
Base-Backbone interact. energy: 0.332
local terms energy: -143.392604
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -28.557
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -422.144321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.587713 (E_RNA)
where:
Base-Base interactions energy: -290.770
where: short stacking energy: -113.570
Base-Backbone interact. energy: -0.806
local terms energy: -131.011783
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -33.332
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -535.121388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.121388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.240000 (E_RNA)
where:
Base-Base interactions energy: -364.896
where: short stacking energy: -142.492
Base-Backbone interact. energy: -1.209
local terms energy: -169.134104
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -36.578
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -40.681
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -546.739146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.739146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.627566 (E_RNA)
where:
Base-Base interactions energy: -372.426
where: short stacking energy: -153.337
Base-Backbone interact. energy: -0.183
local terms energy: -175.018579
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -32.901
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -43.291
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -520.768341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.768341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.307750 (E_RNA)
where:
Base-Base interactions energy: -363.737
where: short stacking energy: -151.135
Base-Backbone interact. energy: 2.513
local terms energy: -160.083582
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -45.732
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: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -512.605329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.605329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.225029 (E_RNA)
where:
Base-Base interactions energy: -358.244
where: short stacking energy: -137.800
Base-Backbone interact. energy: -0.744
local terms energy: -154.236458
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -37.105
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: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -499.775888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.775888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.833933 (E_RNA)
where:
Base-Base interactions energy: -338.999
where: short stacking energy: -139.603
Base-Backbone interact. energy: -0.129
local terms energy: -160.706122
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -511.963246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.963246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.331165 (E_RNA)
where:
Base-Base interactions energy: -363.319
where: short stacking energy: -142.994
Base-Backbone interact. energy: -0.544
local terms energy: -150.468496
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -41.071
Dist. restrs. and SS energy: 2.368 (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: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -467.742171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.742171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.903752 (E_RNA)
where:
Base-Base interactions energy: -329.280
where: short stacking energy: -115.130
Base-Backbone interact. energy: -1.932
local terms energy: -136.692195
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -27.993
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: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -461.683189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.683189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.925638 (E_RNA)
where:
Base-Base interactions energy: -325.779
where: short stacking energy: -121.591
Base-Backbone interact. energy: -0.717
local terms energy: -135.429451
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -35.161
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: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -426.388547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.388547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.506026 (E_RNA)
where:
Base-Base interactions energy: -274.807
where: short stacking energy: -108.639
Base-Backbone interact. energy: -2.697
local terms energy: -150.001631
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 1.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -426.621791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.621791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.655500 (E_RNA)
where:
Base-Base interactions energy: -304.036
where: short stacking energy: -117.513
Base-Backbone interact. energy: -0.221
local terms energy: -123.398464
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 1.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -549.719447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.719447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.729496 (E_RNA)
where:
Base-Base interactions energy: -372.082
where: short stacking energy: -151.121
Base-Backbone interact. energy: -1.649
local terms energy: -175.999236
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -43.213
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -535.294748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.294748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.608690 (E_RNA)
where:
Base-Base interactions energy: -381.289
where: short stacking energy: -155.033
Base-Backbone interact. energy: -0.327
local terms energy: -153.992748
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -44.878
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -541.245012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.245012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.402583 (E_RNA)
where:
Base-Base interactions energy: -372.297
where: short stacking energy: -155.825
Base-Backbone interact. energy: -0.428
local terms energy: -168.677280
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -45.662
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -505.119894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.119894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.807488 (E_RNA)
where:
Base-Base interactions energy: -347.752
where: short stacking energy: -138.870
Base-Backbone interact. energy: 0.844
local terms energy: -158.899835
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -36.665
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -495.784509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.784509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.985552 (E_RNA)
where:
Base-Base interactions energy: -341.530
where: short stacking energy: -139.203
Base-Backbone interact. energy: -0.332
local terms energy: -154.123598
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -36.929
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: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -504.247084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.247084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.122051 (E_RNA)
where:
Base-Base interactions energy: -355.894
where: short stacking energy: -148.092
Base-Backbone interact. energy: -0.260
local terms energy: -148.967715
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -37.875
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -37.519
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -483.091497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.091497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.484531 (E_RNA)
where:
Base-Base interactions energy: -324.119
where: short stacking energy: -135.186
Base-Backbone interact. energy: 0.631
local terms energy: -159.996878
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -40.955
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: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -464.677996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.677996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.473781 (E_RNA)
where:
Base-Base interactions energy: -331.609
where: short stacking energy: -130.485
Base-Backbone interact. energy: -0.615
local terms energy: -133.249364
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -34.883
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -437.325895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.325895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.873999 (E_RNA)
where:
Base-Base interactions energy: -301.641
where: short stacking energy: -116.988
Base-Backbone interact. energy: -0.598
local terms energy: -136.635445
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 1.548 (S_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: 388
Temperature: 1.350000
Total energy: -427.609137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.609137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.493494 (E_RNA)
where:
Base-Base interactions energy: -290.711
where: short stacking energy: -115.929
Base-Backbone interact. energy: -1.819
local terms energy: -135.963405
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -32.185
Dist. restrs. and SS energy: 0.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -543.947489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.947489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.946701 (E_RNA)
where:
Base-Base interactions energy: -376.976
where: short stacking energy: -154.669
Base-Backbone interact. energy: -0.881
local terms energy: -167.090224
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -38.629
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -43.337
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: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -539.461540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.461540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.593542 (E_RNA)
where:
Base-Base interactions energy: -380.977
where: short stacking energy: -162.338
Base-Backbone interact. energy: 1.991
local terms energy: -160.607194
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -43.400
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: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -529.811140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.811140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.016816 (E_RNA)
where:
Base-Base interactions energy: -363.814
where: short stacking energy: -140.720
Base-Backbone interact. energy: 0.216
local terms energy: -166.418283
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -41.007
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -533.938706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.938706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.551357 (E_RNA)
where:
Base-Base interactions energy: -368.933
where: short stacking energy: -162.942
Base-Backbone interact. energy: -0.685
local terms energy: -164.934275
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -47.044
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: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -470.021703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.021703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.124411 (E_RNA)
where:
Base-Base interactions energy: -322.450
where: short stacking energy: -136.415
Base-Backbone interact. energy: 0.056
local terms energy: -147.730802
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -37.893
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: 389
Temperature: 1.150000
Total energy: -494.354707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.354707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.911712 (E_RNA)
where:
Base-Base interactions energy: -340.535
where: short stacking energy: -133.749
Base-Backbone interact. energy: -1.324
local terms energy: -153.053010
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -39.262
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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -479.427904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.427904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.916762 (E_RNA)
where:
Base-Base interactions energy: -337.124
where: short stacking energy: -128.364
Base-Backbone interact. energy: -1.508
local terms energy: -141.284788
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -37.083
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: 389
Temperature: 1.250000
Total energy: -452.878811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.878811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.833978 (E_RNA)
where:
Base-Base interactions energy: -310.663
where: short stacking energy: -137.329
Base-Backbone interact. energy: -0.695
local terms energy: -144.475569
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -421.357983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.357983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.509239 (E_RNA)
where:
Base-Base interactions energy: -305.940
where: short stacking energy: -121.821
Base-Backbone interact. energy: -0.320
local terms energy: -117.249313
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -28.483
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -424.156939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.156939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.557980 (E_RNA)
where:
Base-Base interactions energy: -304.983
where: short stacking energy: -114.162
Base-Backbone interact. energy: 0.407
local terms energy: -119.982095
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -29.479
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: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -562.940682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.940682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.318113 (E_RNA)
where:
Base-Base interactions energy: -389.494
where: short stacking energy: -150.730
Base-Backbone interact. energy: -0.677
local terms energy: -173.147097
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -33.477
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -46.379
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -535.932698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.295264 (E_RNA)
where:
Base-Base interactions energy: -377.387
where: short stacking energy: -157.669
Base-Backbone interact. energy: -0.344
local terms energy: -159.564252
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -49.019
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -509.577341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.577341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.302705 (E_RNA)
where:
Base-Base interactions energy: -344.210
where: short stacking energy: -137.560
Base-Backbone interact. energy: -0.525
local terms energy: -165.567277
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -512.409065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.409065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.679185 (E_RNA)
where:
Base-Base interactions energy: -349.838
where: short stacking energy: -151.111
Base-Backbone interact. energy: -0.638
local terms energy: -162.202436
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -47.214
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -556.292105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.292105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.012386 (E_RNA)
where:
Base-Base interactions energy: -391.584
where: short stacking energy: -158.793
Base-Backbone interact. energy: -1.086
local terms energy: -164.341573
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -489.127052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.127052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.576209 (E_RNA)
where:
Base-Base interactions energy: -332.398
where: short stacking energy: -131.871
Base-Backbone interact. energy: -0.924
local terms energy: -156.254546
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -33.400
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -36.054
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -488.348892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.348892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.144133 (E_RNA)
where:
Base-Base interactions energy: -344.665
where: short stacking energy: -137.728
Base-Backbone interact. energy: -1.997
local terms energy: -142.481849
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -32.253
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -34.073
Dist. restrs. and SS energy: 0.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -464.240159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.240159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.422938 (E_RNA)
where:
Base-Base interactions energy: -324.717
where: short stacking energy: -109.237
Base-Backbone interact. energy: 0.799
local terms energy: -140.504624
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -32.797
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: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -416.258784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.258784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.786278 (E_RNA)
where:
Base-Base interactions energy: -284.526
where: short stacking energy: -118.376
Base-Backbone interact. energy: -1.089
local terms energy: -131.170900
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -26.432
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: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -444.443290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.443290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.766952 (E_RNA)
where:
Base-Base interactions energy: -302.215
where: short stacking energy: -106.338
Base-Backbone interact. energy: -0.700
local terms energy: -141.852256
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -32.211
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: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -553.987246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.987246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.695046 (E_RNA)
where:
Base-Base interactions energy: -381.226
where: short stacking energy: -156.375
Base-Backbone interact. energy: -1.493
local terms energy: -171.976583
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -44.132
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -522.572616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.572616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.884119 (E_RNA)
where:
Base-Base interactions energy: -352.652
where: short stacking energy: -146.262
Base-Backbone interact. energy: -0.464
local terms energy: -169.768325
where:
bonds (distance) C4'-P energy: -33.340
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -29.136
tors. eta vs tors. theta energy: -40.988
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: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -545.102269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.102269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.299886 (E_RNA)
where:
Base-Base interactions energy: -381.248
where: short stacking energy: -154.971
Base-Backbone interact. energy: 1.497
local terms energy: -165.549301
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -39.350
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -43.033
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -534.433157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.433157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.836031 (E_RNA)
where:
Base-Base interactions energy: -368.484
where: short stacking energy: -145.903
Base-Backbone interact. energy: -2.252
local terms energy: -164.100094
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -43.478
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: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -503.472744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.472744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.682968 (E_RNA)
where:
Base-Base interactions energy: -345.161
where: short stacking energy: -142.560
Base-Backbone interact. energy: -0.222
local terms energy: -158.300519
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -42.788
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -484.705291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.705291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.218879 (E_RNA)
where:
Base-Base interactions energy: -330.880
where: short stacking energy: -135.654
Base-Backbone interact. energy: -1.322
local terms energy: -153.017215
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -34.126
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -33.277
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: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -473.105127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.070027 (E_RNA)
where:
Base-Base interactions energy: -338.605
where: short stacking energy: -118.113
Base-Backbone interact. energy: -1.339
local terms energy: -134.126455
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -32.556
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -438.204735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.204735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.253401 (E_RNA)
where:
Base-Base interactions energy: -301.906
where: short stacking energy: -111.092
Base-Backbone interact. energy: 1.893
local terms energy: -139.239897
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 1.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -396.260802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.260802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.932861 (E_RNA)
where:
Base-Base interactions energy: -274.310
where: short stacking energy: -105.942
Base-Backbone interact. energy: -0.476
local terms energy: -126.146438
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 4.672 (S_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: 391
Temperature: 1.350000
Total energy: -449.513024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.105861 (E_RNA)
where:
Base-Base interactions energy: -321.610
where: short stacking energy: -117.736
Base-Backbone interact. energy: -1.265
local terms energy: -128.230784
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -33.333
Dist. restrs. and SS energy: 1.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -538.012914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.012914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.577983 (E_RNA)
where:
Base-Base interactions energy: -355.681
where: short stacking energy: -145.837
Base-Backbone interact. energy: -0.511
local terms energy: -182.385644
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -39.429
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -45.016
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: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -533.861784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.861784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.227904 (E_RNA)
where:
Base-Base interactions energy: -384.215
where: short stacking energy: -148.667
Base-Backbone interact. energy: -0.814
local terms energy: -149.198676
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -37.419
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -525.853969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.853969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.418353 (E_RNA)
where:
Base-Base interactions energy: -363.933
where: short stacking energy: -147.278
Base-Backbone interact. energy: -1.294
local terms energy: -161.191088
where:
bonds (distance) C4'-P energy: -29.387
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -32.671
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -45.746
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -531.291001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.291001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.669053 (E_RNA)
where:
Base-Base interactions energy: -371.962
where: short stacking energy: -149.457
Base-Backbone interact. energy: 1.098
local terms energy: -160.805647
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -43.965
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -492.679232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.679232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.155297 (E_RNA)
where:
Base-Base interactions energy: -332.103
where: short stacking energy: -142.251
Base-Backbone interact. energy: -1.730
local terms energy: -159.322514
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -41.990
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: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -498.332157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.332157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.469421 (E_RNA)
where:
Base-Base interactions energy: -350.486
where: short stacking energy: -134.005
Base-Backbone interact. energy: -0.732
local terms energy: -147.251210
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -37.312
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -483.984264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.984264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.544737 (E_RNA)
where:
Base-Base interactions energy: -336.669
where: short stacking energy: -127.907
Base-Backbone interact. energy: -0.964
local terms energy: -146.912167
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -37.432
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -435.952080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.952080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.252943 (E_RNA)
where:
Base-Base interactions energy: -302.453
where: short stacking energy: -114.337
Base-Backbone interact. energy: -0.976
local terms energy: -132.824383
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -27.344
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: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -458.115694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.115694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.643610 (E_RNA)
where:
Base-Base interactions energy: -302.563
where: short stacking energy: -126.555
Base-Backbone interact. energy: -1.344
local terms energy: -155.736965
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -38.810
Dist. restrs. and SS energy: 1.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -388.819618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.819618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.914429 (E_RNA)
where:
Base-Base interactions energy: -267.773
where: short stacking energy: -109.760
Base-Backbone interact. energy: -0.522
local terms energy: -125.618469
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: 5.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -543.303917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.303917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.746750 (E_RNA)
where:
Base-Base interactions energy: -371.832
where: short stacking energy: -159.591
Base-Backbone interact. energy: 3.455
local terms energy: -175.369124
where:
bonds (distance) C4'-P energy: -34.266
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -45.711
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -532.903729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.903729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.198468 (E_RNA)
where:
Base-Base interactions energy: -375.503
where: short stacking energy: -154.157
Base-Backbone interact. energy: -1.866
local terms energy: -155.829334
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -37.979
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: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -524.726910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.726910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.382904 (E_RNA)
where:
Base-Base interactions energy: -359.507
where: short stacking energy: -141.420
Base-Backbone interact. energy: -1.113
local terms energy: -164.763230
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -38.810
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -526.533151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.533151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.133532 (E_RNA)
where:
Base-Base interactions energy: -381.804
where: short stacking energy: -156.724
Base-Backbone interact. energy: -0.742
local terms energy: -144.587671
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -41.363
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: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -514.506545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.506545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.184980 (E_RNA)
where:
Base-Base interactions energy: -363.322
where: short stacking energy: -148.255
Base-Backbone interact. energy: -0.391
local terms energy: -151.472511
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -41.463
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -470.137143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.137143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.263043 (E_RNA)
where:
Base-Base interactions energy: -331.131
where: short stacking energy: -119.747
Base-Backbone interact. energy: 0.050
local terms energy: -139.181578
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -29.449
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: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -456.579873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.579873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.139012 (E_RNA)
where:
Base-Base interactions energy: -326.614
where: short stacking energy: -131.261
Base-Backbone interact. energy: -0.669
local terms energy: -129.856617
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -39.438
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: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -450.133048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.133048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.943868 (E_RNA)
where:
Base-Base interactions energy: -305.243
where: short stacking energy: -115.455
Base-Backbone interact. energy: -2.649
local terms energy: -143.051634
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -458.769960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.769960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.233081 (E_RNA)
where:
Base-Base interactions energy: -331.851
where: short stacking energy: -143.953
Base-Backbone interact. energy: 0.303
local terms energy: -127.684570
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -35.806
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: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -385.217531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.217531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.696218 (E_RNA)
where:
Base-Base interactions energy: -273.377
where: short stacking energy: -104.636
Base-Backbone interact. energy: -0.246
local terms energy: -112.072956
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -21.840
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: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -547.251044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.251044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.627494 (E_RNA)
where:
Base-Base interactions energy: -382.059
where: short stacking energy: -153.794
Base-Backbone interact. energy: -0.452
local terms energy: -165.116376
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -37.167
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -45.221
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -540.453629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.453629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.771404 (E_RNA)
where:
Base-Base interactions energy: -368.084
where: short stacking energy: -147.072
Base-Backbone interact. energy: -0.046
local terms energy: -172.641258
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -32.443
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -42.324
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: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -533.499683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.499683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.792356 (E_RNA)
where:
Base-Base interactions energy: -368.917
where: short stacking energy: -141.026
Base-Backbone interact. energy: -1.068
local terms energy: -163.807103
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -41.322
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: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -528.479696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.479696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.980299 (E_RNA)
where:
Base-Base interactions energy: -363.362
where: short stacking energy: -149.368
Base-Backbone interact. energy: -0.783
local terms energy: -164.835346
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -41.019
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -520.820782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.820782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.061943 (E_RNA)
where:
Base-Base interactions energy: -355.388
where: short stacking energy: -139.158
Base-Backbone interact. energy: -0.417
local terms energy: -165.257293
where:
bonds (distance) C4'-P energy: -29.168
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -42.346
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -482.557644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.557644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.393882 (E_RNA)
where:
Base-Base interactions energy: -336.252
where: short stacking energy: -131.480
Base-Backbone interact. energy: -0.346
local terms energy: -146.795530
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -36.174
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: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -464.252857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.252857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.318406 (E_RNA)
where:
Base-Base interactions energy: -328.314
where: short stacking energy: -126.824
Base-Backbone interact. energy: -1.163
local terms energy: -134.840934
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -32.080
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: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -463.217688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.217688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.917578 (E_RNA)
where:
Base-Base interactions energy: -313.809
where: short stacking energy: -127.556
Base-Backbone interact. energy: -0.971
local terms energy: -149.137616
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -37.837
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: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -442.279909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.279909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.112437 (E_RNA)
where:
Base-Base interactions energy: -311.891
where: short stacking energy: -127.337
Base-Backbone interact. energy: -0.765
local terms energy: -131.456100
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -35.149
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -415.205644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.205644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.281399 (E_RNA)
where:
Base-Base interactions energy: -277.719
where: short stacking energy: -105.384
Base-Backbone interact. energy: -0.578
local terms energy: -136.984830
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -548.669092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.669092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.899631 (E_RNA)
where:
Base-Base interactions energy: -375.742
where: short stacking energy: -156.272
Base-Backbone interact. energy: 0.144
local terms energy: -173.301676
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -44.755
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: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -542.188890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.188890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.537016 (E_RNA)
where:
Base-Base interactions energy: -367.994
where: short stacking energy: -149.541
Base-Backbone interact. energy: -1.003
local terms energy: -173.539830
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -34.814
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -526.119100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.119100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.737418 (E_RNA)
where:
Base-Base interactions energy: -362.500
where: short stacking energy: -150.863
Base-Backbone interact. energy: -2.058
local terms energy: -162.179042
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -48.738
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: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -519.441136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.441136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.814211 (E_RNA)
where:
Base-Base interactions energy: -358.563
where: short stacking energy: -140.638
Base-Backbone interact. energy: -0.512
local terms energy: -160.738816
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -37.933
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -505.300835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.300835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.844086 (E_RNA)
where:
Base-Base interactions energy: -349.931
where: short stacking energy: -136.679
Base-Backbone interact. energy: -0.539
local terms energy: -155.373406
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -44.082
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: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -481.292593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.292593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.532859 (E_RNA)
where:
Base-Base interactions energy: -330.828
where: short stacking energy: -126.934
Base-Backbone interact. energy: 0.318
local terms energy: -151.023164
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -40.208
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -486.810889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.810889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.182183 (E_RNA)
where:
Base-Base interactions energy: -353.331
where: short stacking energy: -143.529
Base-Backbone interact. energy: -0.656
local terms energy: -133.195416
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -39.395
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: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -474.192026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.192026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.798174 (E_RNA)
where:
Base-Base interactions energy: -315.205
where: short stacking energy: -128.376
Base-Backbone interact. energy: -0.932
local terms energy: -158.661011
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -42.021
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: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -438.785699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.785699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.535066 (E_RNA)
where:
Base-Base interactions energy: -296.849
where: short stacking energy: -115.486
Base-Backbone interact. energy: -1.324
local terms energy: -141.361730
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -32.043
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -419.601366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.601366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.037403 (E_RNA)
where:
Base-Base interactions energy: -289.080
where: short stacking energy: -117.503
Base-Backbone interact. energy: 6.339
local terms energy: -137.296588
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -34.266
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -34.369
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: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -545.879339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.879339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.131742 (E_RNA)
where:
Base-Base interactions energy: -383.023
where: short stacking energy: -148.665
Base-Backbone interact. energy: -0.745
local terms energy: -162.364110
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -43.318
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -531.755010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.755010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.299988 (E_RNA)
where:
Base-Base interactions energy: -357.678
where: short stacking energy: -147.654
Base-Backbone interact. energy: -0.993
local terms energy: -173.628177
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -37.253
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -43.139
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -529.136599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.136599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.561691 (E_RNA)
where:
Base-Base interactions energy: -366.655
where: short stacking energy: -151.561
Base-Backbone interact. energy: 5.441
local terms energy: -168.347649
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -34.165
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -519.334603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.334603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.798035 (E_RNA)
where:
Base-Base interactions energy: -350.522
where: short stacking energy: -144.686
Base-Backbone interact. energy: -1.046
local terms energy: -168.229769
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -43.765
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: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -518.284001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.284001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.729486 (E_RNA)
where:
Base-Base interactions energy: -354.302
where: short stacking energy: -144.870
Base-Backbone interact. energy: -0.643
local terms energy: -163.784617
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -36.301
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -43.902
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: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -485.166515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.166515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.911890 (E_RNA)
where:
Base-Base interactions energy: -332.780
where: short stacking energy: -142.151
Base-Backbone interact. energy: -1.143
local terms energy: -151.988678
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -41.338
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: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -472.452354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.452354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.733047 (E_RNA)
where:
Base-Base interactions energy: -334.773
where: short stacking energy: -130.999
Base-Backbone interact. energy: 0.449
local terms energy: -138.408955
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -30.632
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -447.430911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.430911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.209758 (E_RNA)
where:
Base-Base interactions energy: -309.590
where: short stacking energy: -116.442
Base-Backbone interact. energy: 0.423
local terms energy: -140.043066
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -39.767
Dist. restrs. and SS energy: 1.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -431.349783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.349783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.026563 (E_RNA)
where:
Base-Base interactions energy: -297.493
where: short stacking energy: -115.360
Base-Backbone interact. energy: -1.240
local terms energy: -133.293243
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -29.051
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: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -426.064967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.064967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.516632 (E_RNA)
where:
Base-Base interactions energy: -291.092
where: short stacking energy: -115.454
Base-Backbone interact. energy: 1.090
local terms energy: -136.514733
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -26.419
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -31.419
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -552.605962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.605962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.375207 (E_RNA)
where:
Base-Base interactions energy: -380.140
where: short stacking energy: -158.294
Base-Backbone interact. energy: -0.640
local terms energy: -172.594713
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -37.871
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -43.867
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -544.276518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.276518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.692158 (E_RNA)
where:
Base-Base interactions energy: -371.896
where: short stacking energy: -152.960
Base-Backbone interact. energy: -0.193
local terms energy: -172.602799
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -43.471
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -525.023252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.023252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.749823 (E_RNA)
where:
Base-Base interactions energy: -351.890
where: short stacking energy: -146.289
Base-Backbone interact. energy: 0.539
local terms energy: -174.398666
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -37.558
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -43.459
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -514.898603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.898603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.816126 (E_RNA)
where:
Base-Base interactions energy: -349.467
where: short stacking energy: -149.577
Base-Backbone interact. energy: -0.603
local terms energy: -165.745772
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -43.801
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -503.143388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.143388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.806790 (E_RNA)
where:
Base-Base interactions energy: -353.035
where: short stacking energy: -134.697
Base-Backbone interact. energy: -0.096
local terms energy: -150.675598
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -36.951
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -467.141471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.141471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.647155 (E_RNA)
where:
Base-Base interactions energy: -330.547
where: short stacking energy: -130.811
Base-Backbone interact. energy: -1.526
local terms energy: -135.573519
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -35.447
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -471.038678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.038678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.285150 (E_RNA)
where:
Base-Base interactions energy: -330.903
where: short stacking energy: -125.845
Base-Backbone interact. energy: 0.022
local terms energy: -140.404923
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -36.289
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -429.544886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.544886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.002103 (E_RNA)
where:
Base-Base interactions energy: -308.628
where: short stacking energy: -120.980
Base-Backbone interact. energy: -0.016
local terms energy: -121.358262
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -32.004
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: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -454.256967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.256967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.029447 (E_RNA)
where:
Base-Base interactions energy: -325.150
where: short stacking energy: -123.015
Base-Backbone interact. energy: -1.458
local terms energy: -128.420861
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -36.066
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -431.369909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.369909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.409412 (E_RNA)
where:
Base-Base interactions energy: -314.786
where: short stacking energy: -128.387
Base-Backbone interact. energy: -0.284
local terms energy: -117.339848
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -30.586
Dist. restrs. and SS energy: 1.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -555.209964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.209964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.765148 (E_RNA)
where:
Base-Base interactions energy: -381.539
where: short stacking energy: -158.370
Base-Backbone interact. energy: -0.312
local terms energy: -173.914918
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -37.978
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -45.433
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: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -544.932973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.932973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.297839 (E_RNA)
where:
Base-Base interactions energy: -367.208
where: short stacking energy: -147.905
Base-Backbone interact. energy: -2.055
local terms energy: -176.035389
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -45.886
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: 398
Temperature: 1.000000
Total energy: -526.760255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.760255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.885288 (E_RNA)
where:
Base-Base interactions energy: -370.716
where: short stacking energy: -156.095
Base-Backbone interact. energy: 2.402
local terms energy: -158.571787
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -37.206
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -41.671
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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -510.285602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.285602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.688680 (E_RNA)
where:
Base-Base interactions energy: -344.972
where: short stacking energy: -136.563
Base-Backbone interact. energy: 1.201
local terms energy: -166.917568
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -35.404
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -39.277
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -516.621202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.621202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.993053 (E_RNA)
where:
Base-Base interactions energy: -362.992
where: short stacking energy: -135.705
Base-Backbone interact. energy: 0.418
local terms energy: -154.418721
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -32.366
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -43.072
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: 398
Temperature: 1.150000
Total energy: -482.031582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.031582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.212528 (E_RNA)
where:
Base-Base interactions energy: -327.839
where: short stacking energy: -130.697
Base-Backbone interact. energy: -1.142
local terms energy: -153.231477
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -30.562
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -434.610207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.610207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.132610 (E_RNA)
where:
Base-Base interactions energy: -302.221
where: short stacking energy: -117.682
Base-Backbone interact. energy: -0.399
local terms energy: -132.512247
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -30.392
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -462.392128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.392128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.011273 (E_RNA)
where:
Base-Base interactions energy: -322.553
where: short stacking energy: -127.415
Base-Backbone interact. energy: -0.654
local terms energy: -139.804739
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -36.696
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: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -468.311101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.311101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.525661 (E_RNA)
where:
Base-Base interactions energy: -343.630
where: short stacking energy: -143.174
Base-Backbone interact. energy: -0.519
local terms energy: -124.376598
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -34.425
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: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -423.186319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.186319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.425231 (E_RNA)
where:
Base-Base interactions energy: -305.590
where: short stacking energy: -99.602
Base-Backbone interact. energy: -0.005
local terms energy: -117.830717
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -22.537
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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -552.425370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.425370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.579290 (E_RNA)
where:
Base-Base interactions energy: -380.105
where: short stacking energy: -150.255
Base-Backbone interact. energy: -0.123
local terms energy: -172.351127
where:
bonds (distance) C4'-P energy: -33.541
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -39.049
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -47.646
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -531.040886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.040886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.914192 (E_RNA)
where:
Base-Base interactions energy: -365.877
where: short stacking energy: -149.445
Base-Backbone interact. energy: -1.601
local terms energy: -164.436824
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -38.472
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -522.223326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.223326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.652755 (E_RNA)
where:
Base-Base interactions energy: -357.289
where: short stacking energy: -145.561
Base-Backbone interact. energy: -1.179
local terms energy: -164.184436
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -39.117
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: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -509.979784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.979784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.420199 (E_RNA)
where:
Base-Base interactions energy: -341.174
where: short stacking energy: -143.657
Base-Backbone interact. energy: -1.125
local terms energy: -168.121660
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -38.491
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -46.884
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: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -516.437615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.437615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.838586 (E_RNA)
where:
Base-Base interactions energy: -349.446
where: short stacking energy: -148.993
Base-Backbone interact. energy: -0.944
local terms energy: -166.448530
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -43.820
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: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -466.814621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.814621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.387372 (E_RNA)
where:
Base-Base interactions energy: -324.165
where: short stacking energy: -124.039
Base-Backbone interact. energy: -0.220
local terms energy: -143.002402
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -35.211
flat angles C4'-P-C4' energy: -30.613
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -27.915
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -450.604807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.604807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.744816 (E_RNA)
where:
Base-Base interactions energy: -317.991
where: short stacking energy: -123.460
Base-Backbone interact. energy: -0.584
local terms energy: -132.169444
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -33.791
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: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -477.605554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.605554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.581387 (E_RNA)
where:
Base-Base interactions energy: -332.722
where: short stacking energy: -137.628
Base-Backbone interact. energy: 0.791
local terms energy: -146.650978
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -38.918
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: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -463.653194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.653194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.266457 (E_RNA)
where:
Base-Base interactions energy: -317.243
where: short stacking energy: -130.876
Base-Backbone interact. energy: -0.675
local terms energy: -146.348857
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -36.144
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: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -398.580668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.580668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.077887 (E_RNA)
where:
Base-Base interactions energy: -270.273
where: short stacking energy: -97.454
Base-Backbone interact. energy: -0.498
local terms energy: -133.307733
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -30.904
Dist. restrs. and SS energy: 5.497 (S_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: 400
Temperature: 0.900000
Total energy: -552.408197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.408197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.940288 (E_RNA)
where:
Base-Base interactions energy: -378.257
where: short stacking energy: -137.792
Base-Backbone interact. energy: -1.205
local terms energy: -173.478146
where:
bonds (distance) C4'-P energy: -34.234
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -39.216
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -45.664
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -551.230112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.230112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.653863 (E_RNA)
where:
Base-Base interactions energy: -375.204
where: short stacking energy: -158.429
Base-Backbone interact. energy: -0.460
local terms energy: -175.989842
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -38.525
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -42.000
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: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -530.156818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.156818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.533834 (E_RNA)
where:
Base-Base interactions energy: -362.203
where: short stacking energy: -153.022
Base-Backbone interact. energy: -1.340
local terms energy: -166.990738
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -41.799
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -511.012260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.012260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.533594 (E_RNA)
where:
Base-Base interactions energy: -363.764
where: short stacking energy: -137.680
Base-Backbone interact. energy: -0.690
local terms energy: -147.079613
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -32.915
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: 400
Temperature: 1.100000
Total energy: -517.468302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.468302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.651226 (E_RNA)
where:
Base-Base interactions energy: -348.344
where: short stacking energy: -139.658
Base-Backbone interact. energy: -0.481
local terms energy: -168.826256
where:
bonds (distance) C4'-P energy: -36.368
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -40.234
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: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -479.716522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.716522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.178842 (E_RNA)
where:
Base-Base interactions energy: -337.032
where: short stacking energy: -123.420
Base-Backbone interact. energy: 0.238
local terms energy: -143.385310
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -31.471
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: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -476.247365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.247365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.870568 (E_RNA)
where:
Base-Base interactions energy: -327.257
where: short stacking energy: -125.042
Base-Backbone interact. energy: -0.822
local terms energy: -148.791022
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -32.730
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: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -428.122507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.122507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.701845 (E_RNA)
where:
Base-Base interactions energy: -302.001
where: short stacking energy: -112.245
Base-Backbone interact. energy: -0.202
local terms energy: -126.498938
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -32.824
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -417.609560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.609560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.135116 (E_RNA)
where:
Base-Base interactions energy: -290.895
where: short stacking energy: -104.040
Base-Backbone interact. energy: 2.854
local terms energy: -130.094068
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -31.246
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -457.647721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.647721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.372541 (E_RNA)
where:
Base-Base interactions energy: -325.028
where: short stacking energy: -132.332
Base-Backbone interact. energy: 4.748
local terms energy: -138.092846
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -545.933850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.933850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.819597 (E_RNA)
where:
Base-Base interactions energy: -386.485
where: short stacking energy: -153.722
Base-Backbone interact. energy: -0.747
local terms energy: -159.587794
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -531.406395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.406395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.236671 (E_RNA)
where:
Base-Base interactions energy: -362.575
where: short stacking energy: -150.801
Base-Backbone interact. energy: -1.016
local terms energy: -168.645930
where:
bonds (distance) C4'-P energy: -36.395
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -40.902
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: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -529.370826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.370826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.410482 (E_RNA)
where:
Base-Base interactions energy: -368.510
where: short stacking energy: -152.594
Base-Backbone interact. energy: -0.702
local terms energy: -161.198347
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -41.554
Dist. restrs. and SS energy: 1.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -506.375981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.375981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.787275 (E_RNA)
where:
Base-Base interactions energy: -353.322
where: short stacking energy: -138.787
Base-Backbone interact. energy: -0.672
local terms energy: -152.793100
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -39.802
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -510.551503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.551503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.932828 (E_RNA)
where:
Base-Base interactions energy: -356.511
where: short stacking energy: -139.793
Base-Backbone interact. energy: -1.421
local terms energy: -153.001036
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -38.047
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: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -488.240530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.240530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.428792 (E_RNA)
where:
Base-Base interactions energy: -339.177
where: short stacking energy: -131.383
Base-Backbone interact. energy: -0.493
local terms energy: -148.758466
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -37.494
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -502.299462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.299462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.798420 (E_RNA)
where:
Base-Base interactions energy: -358.757
where: short stacking energy: -132.621
Base-Backbone interact. energy: -0.121
local terms energy: -143.921022
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -34.941
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: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -441.686832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.686832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.885417 (E_RNA)
where:
Base-Base interactions energy: -300.351
where: short stacking energy: -116.496
Base-Backbone interact. energy: -1.427
local terms energy: -140.107582
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -425.187905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.187905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.649397 (E_RNA)
where:
Base-Base interactions energy: -300.593
where: short stacking energy: -117.260
Base-Backbone interact. energy: -0.338
local terms energy: -124.718065
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -25.182
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: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -454.407160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.407160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.738046 (E_RNA)
where:
Base-Base interactions energy: -316.703
where: short stacking energy: -122.652
Base-Backbone interact. energy: -1.241
local terms energy: -137.793943
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 1.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -547.554023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.554023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.039681 (E_RNA)
where:
Base-Base interactions energy: -379.258
where: short stacking energy: -158.485
Base-Backbone interact. energy: -0.470
local terms energy: -169.311039
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -540.773644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.773644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.296320 (E_RNA)
where:
Base-Base interactions energy: -369.284
where: short stacking energy: -153.898
Base-Backbone interact. energy: -0.817
local terms energy: -171.195897
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -529.769874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.769874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.115517 (E_RNA)
where:
Base-Base interactions energy: -352.460
where: short stacking energy: -150.567
Base-Backbone interact. energy: -0.592
local terms energy: -177.063557
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -43.380
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: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -516.985632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.985632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.464468 (E_RNA)
where:
Base-Base interactions energy: -361.798
where: short stacking energy: -148.405
Base-Backbone interact. energy: -1.177
local terms energy: -154.489141
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -37.815
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: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -474.570619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.570619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.344186 (E_RNA)
where:
Base-Base interactions energy: -325.815
where: short stacking energy: -118.646
Base-Backbone interact. energy: -1.256
local terms energy: -148.273540
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -34.971
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -31.329
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -486.938253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.938253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.906487 (E_RNA)
where:
Base-Base interactions energy: -333.309
where: short stacking energy: -130.322
Base-Backbone interact. energy: -1.407
local terms energy: -153.190490
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -38.294
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -471.894648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.894648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.464404 (E_RNA)
where:
Base-Base interactions energy: -331.573
where: short stacking energy: -131.942
Base-Backbone interact. energy: -0.864
local terms energy: -140.027327
where:
bonds (distance) C4'-P energy: -30.683
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -31.159
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: 402
Temperature: 1.250000
Total energy: -429.718480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.718480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.389459 (E_RNA)
where:
Base-Base interactions energy: -317.348
where: short stacking energy: -123.830
Base-Backbone interact. energy: -1.692
local terms energy: -111.350049
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -28.191
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: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -453.984671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.984671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.157267 (E_RNA)
where:
Base-Base interactions energy: -307.797
where: short stacking energy: -114.670
Base-Backbone interact. energy: -1.288
local terms energy: -146.072449
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -33.839
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -420.296722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.296722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.793847 (E_RNA)
where:
Base-Base interactions energy: -293.304
where: short stacking energy: -116.676
Base-Backbone interact. energy: -1.015
local terms energy: -126.475319
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -29.562
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: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -545.211602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.211602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.519828 (E_RNA)
where:
Base-Base interactions energy: -380.585
where: short stacking energy: -168.686
Base-Backbone interact. energy: -0.939
local terms energy: -163.995504
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -47.185
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: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -537.712106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.712106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.816045 (E_RNA)
where:
Base-Base interactions energy: -369.889
where: short stacking energy: -157.736
Base-Backbone interact. energy: -0.906
local terms energy: -168.021879
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -45.796
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -532.769828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.769828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.225029 (E_RNA)
where:
Base-Base interactions energy: -360.515
where: short stacking energy: -156.441
Base-Backbone interact. energy: -1.429
local terms energy: -171.281285
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -43.116
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: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -528.738754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.738754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.019987 (E_RNA)
where:
Base-Base interactions energy: -373.348
where: short stacking energy: -144.757
Base-Backbone interact. energy: -0.004
local terms energy: -155.668379
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -512.056170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.056170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.937883 (E_RNA)
where:
Base-Base interactions energy: -358.276
where: short stacking energy: -153.285
Base-Backbone interact. energy: 0.571
local terms energy: -155.232748
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -40.309
Dist. restrs. and SS energy: 0.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -476.368106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.368106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.820417 (E_RNA)
where:
Base-Base interactions energy: -343.958
where: short stacking energy: -131.516
Base-Backbone interact. energy: 2.075
local terms energy: -134.938181
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -30.885
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: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -457.237911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.237911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.317254 (E_RNA)
where:
Base-Base interactions energy: -303.775
where: short stacking energy: -123.327
Base-Backbone interact. energy: -0.032
local terms energy: -154.510032
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -36.405
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -463.272496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.184533 (E_RNA)
where:
Base-Base interactions energy: -314.954
where: short stacking energy: -134.399
Base-Backbone interact. energy: -0.964
local terms energy: -148.266892
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -37.243
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -413.112752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.112752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.963639 (E_RNA)
where:
Base-Base interactions energy: -283.312
where: short stacking energy: -103.453
Base-Backbone interact. energy: -0.025
local terms energy: -133.627317
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -29.864
Dist. restrs. and SS energy: 3.851 (S_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: 403
Temperature: 1.350000
Total energy: -402.362986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.362986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.101907 (E_RNA)
where:
Base-Base interactions energy: -274.692
where: short stacking energy: -103.908
Base-Backbone interact. energy: 0.281
local terms energy: -128.690973
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -554.058805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.058805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.494673 (E_RNA)
where:
Base-Base interactions energy: -383.851
where: short stacking energy: -158.960
Base-Backbone interact. energy: -0.223
local terms energy: -170.420494
where:
bonds (distance) C4'-P energy: -34.490
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -44.783
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: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -542.791397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.791397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.479484 (E_RNA)
where:
Base-Base interactions energy: -382.925
where: short stacking energy: -156.833
Base-Backbone interact. energy: 0.905
local terms energy: -161.459648
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -42.877
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: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -529.793399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.793399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.369300 (E_RNA)
where:
Base-Base interactions energy: -356.523
where: short stacking energy: -154.373
Base-Backbone interact. energy: -1.286
local terms energy: -172.560320
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -45.006
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -525.747990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.747990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.757431 (E_RNA)
where:
Base-Base interactions energy: -359.978
where: short stacking energy: -141.647
Base-Backbone interact. energy: -1.702
local terms energy: -165.077443
where:
bonds (distance) C4'-P energy: -35.056
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -42.829
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -476.179140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.179140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.404031 (E_RNA)
where:
Base-Base interactions energy: -333.610
where: short stacking energy: -124.122
Base-Backbone interact. energy: 0.333
local terms energy: -143.126554
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -35.314
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: 404
Temperature: 1.150000
Total energy: -496.171705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.171705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.550794 (E_RNA)
where:
Base-Base interactions energy: -349.495
where: short stacking energy: -133.382
Base-Backbone interact. energy: -0.661
local terms energy: -146.394802
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -34.899
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: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -479.049079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.049079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.764421 (E_RNA)
where:
Base-Base interactions energy: -331.763
where: short stacking energy: -126.567
Base-Backbone interact. energy: -2.212
local terms energy: -145.789737
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -40.080
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: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -462.742877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.742877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.291068 (E_RNA)
where:
Base-Base interactions energy: -328.035
where: short stacking energy: -123.825
Base-Backbone interact. energy: 3.396
local terms energy: -138.651911
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -431.506294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.506294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.967504 (E_RNA)
where:
Base-Base interactions energy: -289.477
where: short stacking energy: -114.165
Base-Backbone interact. energy: -1.625
local terms energy: -140.865535
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -29.699
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: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -422.016020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.016020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.362039 (E_RNA)
where:
Base-Base interactions energy: -295.429
where: short stacking energy: -110.018
Base-Backbone interact. energy: -1.434
local terms energy: -127.499340
where:
bonds (distance) C4'-P energy: -29.420
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -26.262
Dist. restrs. and SS energy: 2.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -552.065690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.065690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.614970 (E_RNA)
where:
Base-Base interactions energy: -381.306
where: short stacking energy: -162.505
Base-Backbone interact. energy: -0.652
local terms energy: -170.656857
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -538.985429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.985429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.226136 (E_RNA)
where:
Base-Base interactions energy: -371.451
where: short stacking energy: -155.823
Base-Backbone interact. energy: -0.700
local terms energy: -167.075458
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -46.789
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: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -534.829811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.829811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.401796 (E_RNA)
where:
Base-Base interactions energy: -371.768
where: short stacking energy: -152.748
Base-Backbone interact. energy: -0.825
local terms energy: -162.808028
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -505.102644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.102644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.331332 (E_RNA)
where:
Base-Base interactions energy: -342.694
where: short stacking energy: -122.955
Base-Backbone interact. energy: -0.295
local terms energy: -162.342171
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -40.187
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -519.939088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.939088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.387788 (E_RNA)
where:
Base-Base interactions energy: -365.831
where: short stacking energy: -152.937
Base-Backbone interact. energy: 0.058
local terms energy: -154.615278
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -27.481
tors. eta vs tors. theta energy: -45.821
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: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -506.182996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.182996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.008851 (E_RNA)
where:
Base-Base interactions energy: -353.093
where: short stacking energy: -145.958
Base-Backbone interact. energy: -1.009
local terms energy: -152.906844
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -478.865319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.865319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.983407 (E_RNA)
where:
Base-Base interactions energy: -330.016
where: short stacking energy: -133.596
Base-Backbone interact. energy: -0.606
local terms energy: -148.360662
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -34.199
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: 405
Temperature: 1.250000
Total energy: -467.101217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.101217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.099670 (E_RNA)
where:
Base-Base interactions energy: -325.378
where: short stacking energy: -126.809
Base-Backbone interact. energy: -0.328
local terms energy: -142.394036
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -36.465
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: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -444.427310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.427310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.584477 (E_RNA)
where:
Base-Base interactions energy: -295.383
where: short stacking energy: -109.301
Base-Backbone interact. energy: -0.876
local terms energy: -148.325488
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -34.639
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: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -410.058251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.058251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.833147 (E_RNA)
where:
Base-Base interactions energy: -280.281
where: short stacking energy: -113.680
Base-Backbone interact. energy: -0.962
local terms energy: -129.590381
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -545.559461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.559461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.938660 (E_RNA)
where:
Base-Base interactions energy: -388.254
where: short stacking energy: -171.587
Base-Backbone interact. energy: 0.315
local terms energy: -157.999540
where:
bonds (distance) C4'-P energy: -34.430
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -44.629
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -541.842564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.842564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.885425 (E_RNA)
where:
Base-Base interactions energy: -376.631
where: short stacking energy: -149.349
Base-Backbone interact. energy: -0.306
local terms energy: -165.948485
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -45.519
Dist. restrs. and SS energy: 1.043 (S_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: 406
Temperature: 1.000000
Total energy: -534.831705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.831705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.831705 (E_RNA)
where:
Base-Base interactions energy: -371.039
where: short stacking energy: -153.736
Base-Backbone interact. energy: -0.589
local terms energy: -163.203314
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -48.497
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -521.978032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.978032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.261098 (E_RNA)
where:
Base-Base interactions energy: -338.043
where: short stacking energy: -138.418
Base-Backbone interact. energy: -0.934
local terms energy: -183.284480
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -44.689
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: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -504.416073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.416073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.732676 (E_RNA)
where:
Base-Base interactions energy: -359.565
where: short stacking energy: -149.573
Base-Backbone interact. energy: -0.826
local terms energy: -144.341743
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -42.520
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -488.766108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.766108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.562121 (E_RNA)
where:
Base-Base interactions energy: -337.216
where: short stacking energy: -142.845
Base-Backbone interact. energy: -1.847
local terms energy: -150.499383
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -35.877
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: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -481.420687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.420687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.161852 (E_RNA)
where:
Base-Base interactions energy: -333.312
where: short stacking energy: -138.483
Base-Backbone interact. energy: 0.599
local terms energy: -149.448869
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -39.862
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: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -484.776059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.776059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.083423 (E_RNA)
where:
Base-Base interactions energy: -336.755
where: short stacking energy: -144.194
Base-Backbone interact. energy: -0.388
local terms energy: -147.940431
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -37.419
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -418.149109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.149109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.546409 (E_RNA)
where:
Base-Base interactions energy: -298.098
where: short stacking energy: -111.506
Base-Backbone interact. energy: -0.003
local terms energy: -121.445311
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -25.846
Dist. restrs. and SS energy: 1.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -403.952777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.952777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.528849 (E_RNA)
where:
Base-Base interactions energy: -281.013
where: short stacking energy: -106.981
Base-Backbone interact. energy: -0.362
local terms energy: -123.153807
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -29.864
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: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -546.088740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.088740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.816605 (E_RNA)
where:
Base-Base interactions energy: -381.857
where: short stacking energy: -155.605
Base-Backbone interact. energy: -0.558
local terms energy: -164.401851
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -42.735
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -533.473425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.473425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.654721 (E_RNA)
where:
Base-Base interactions energy: -362.157
where: short stacking energy: -150.018
Base-Backbone interact. energy: -1.165
local terms energy: -170.332550
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -45.399
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: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -531.758190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.758190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.255747 (E_RNA)
where:
Base-Base interactions energy: -359.809
where: short stacking energy: -147.456
Base-Backbone interact. energy: -1.404
local terms energy: -171.042831
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -47.800
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -535.493299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.493299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.771879 (E_RNA)
where:
Base-Base interactions energy: -365.588
where: short stacking energy: -157.161
Base-Backbone interact. energy: -0.851
local terms energy: -169.332666
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -39.593
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -46.152
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: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -506.767581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.767581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.913025 (E_RNA)
where:
Base-Base interactions energy: -354.609
where: short stacking energy: -143.789
Base-Backbone interact. energy: -0.178
local terms energy: -152.125998
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -39.920
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -494.229224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.229224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.472296 (E_RNA)
where:
Base-Base interactions energy: -346.504
where: short stacking energy: -145.159
Base-Backbone interact. energy: -1.986
local terms energy: -145.982302
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -39.977
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -475.691762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.691762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.107767 (E_RNA)
where:
Base-Base interactions energy: -318.898
where: short stacking energy: -127.555
Base-Backbone interact. energy: 0.133
local terms energy: -157.343206
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -39.087
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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -463.114645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.114645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.841137 (E_RNA)
where:
Base-Base interactions energy: -316.704
where: short stacking energy: -123.256
Base-Backbone interact. energy: -0.159
local terms energy: -146.978426
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -34.928
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: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -411.775481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.775481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.442993 (E_RNA)
where:
Base-Base interactions energy: -299.752
where: short stacking energy: -111.476
Base-Backbone interact. energy: 0.808
local terms energy: -113.498440
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -27.718
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -412.825183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.825183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.116033 (E_RNA)
where:
Base-Base interactions energy: -293.278
where: short stacking energy: -116.524
Base-Backbone interact. energy: -0.362
local terms energy: -120.476134
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -31.148
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -549.527263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.527263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.960981 (E_RNA)
where:
Base-Base interactions energy: -389.409
where: short stacking energy: -164.744
Base-Backbone interact. energy: -1.006
local terms energy: -159.546433
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -42.046
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -544.291851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.291851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.596165 (E_RNA)
where:
Base-Base interactions energy: -364.986
where: short stacking energy: -140.967
Base-Backbone interact. energy: -0.830
local terms energy: -178.779540
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -40.216
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -44.348
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: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -521.549988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.549988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.867331 (E_RNA)
where:
Base-Base interactions energy: -367.150
where: short stacking energy: -147.940
Base-Backbone interact. energy: -0.068
local terms energy: -154.649058
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -40.612
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -540.873179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.873179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.159912 (E_RNA)
where:
Base-Base interactions energy: -364.817
where: short stacking energy: -151.943
Base-Backbone interact. energy: -0.308
local terms energy: -176.034394
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -36.610
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -47.109
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -509.849023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.849023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.043799 (E_RNA)
where:
Base-Base interactions energy: -346.322
where: short stacking energy: -144.596
Base-Backbone interact. energy: 0.155
local terms energy: -163.876742
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -42.552
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: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -494.778903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.778903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.804267 (E_RNA)
where:
Base-Base interactions energy: -351.985
where: short stacking energy: -135.691
Base-Backbone interact. energy: -2.121
local terms energy: -141.698090
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -37.737
Dist. restrs. and SS energy: 1.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -489.241139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.241139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.898283 (E_RNA)
where:
Base-Base interactions energy: -344.802
where: short stacking energy: -130.350
Base-Backbone interact. energy: -0.521
local terms energy: -144.574506
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -27.472
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -37.694
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: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -450.933226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.933226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.362779 (E_RNA)
where:
Base-Base interactions energy: -312.489
where: short stacking energy: -123.834
Base-Backbone interact. energy: 1.037
local terms energy: -140.910284
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -31.502
Dist. restrs. and SS energy: 1.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -425.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.838154 (E_RNA)
where:
Base-Base interactions energy: -289.412
where: short stacking energy: -117.682
Base-Backbone interact. energy: -0.991
local terms energy: -135.435141
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -25.871
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: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -419.538712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.538712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.014565 (E_RNA)
where:
Base-Base interactions energy: -292.372
where: short stacking energy: -114.282
Base-Backbone interact. energy: 1.541
local terms energy: -133.183332
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -22.196
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: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -548.010273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.010273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.562262 (E_RNA)
where:
Base-Base interactions energy: -376.804
where: short stacking energy: -160.700
Base-Backbone interact. energy: -0.562
local terms energy: -171.196428
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -38.310
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -44.900
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: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -540.217919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.217919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.419552 (E_RNA)
where:
Base-Base interactions energy: -378.236
where: short stacking energy: -157.334
Base-Backbone interact. energy: -1.187
local terms energy: -160.996688
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -40.340
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: 409
Temperature: 1.000000
Total energy: -535.947020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.947020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.601764 (E_RNA)
where:
Base-Base interactions energy: -366.930
where: short stacking energy: -159.463
Base-Backbone interact. energy: -0.977
local terms energy: -168.694962
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -45.726
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: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -518.579648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.579648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.161877 (E_RNA)
where:
Base-Base interactions energy: -355.232
where: short stacking energy: -141.744
Base-Backbone interact. energy: -0.693
local terms energy: -163.236645
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -41.408
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: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -517.807570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.807570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.112743 (E_RNA)
where:
Base-Base interactions energy: -347.084
where: short stacking energy: -151.381
Base-Backbone interact. energy: 0.268
local terms energy: -171.296758
where:
bonds (distance) C4'-P energy: -34.831
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -41.441
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: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -503.032773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.032773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.754732 (E_RNA)
where:
Base-Base interactions energy: -358.629
where: short stacking energy: -139.028
Base-Backbone interact. energy: 0.894
local terms energy: -146.019276
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -38.386
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: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -499.521455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.521455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.619244 (E_RNA)
where:
Base-Base interactions energy: -347.988
where: short stacking energy: -136.014
Base-Backbone interact. energy: 0.603
local terms energy: -152.233725
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -34.222
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -458.721034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.721034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.226006 (E_RNA)
where:
Base-Base interactions energy: -322.331
where: short stacking energy: -116.993
Base-Backbone interact. energy: -0.606
local terms energy: -136.289264
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -36.531
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: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -453.418265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.418265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.657300 (E_RNA)
where:
Base-Base interactions energy: -303.873
where: short stacking energy: -118.400
Base-Backbone interact. energy: -1.059
local terms energy: -148.725426
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -31.483
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -415.764033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.764033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.838846 (E_RNA)
where:
Base-Base interactions energy: -294.307
where: short stacking energy: -108.244
Base-Backbone interact. energy: -1.000
local terms energy: -126.532370
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 6.075 (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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -541.441597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.441597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.358034 (E_RNA)
where:
Base-Base interactions energy: -370.987
where: short stacking energy: -153.760
Base-Backbone interact. energy: -0.260
local terms energy: -171.110522
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -42.932
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: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -533.500243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.500243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.825230 (E_RNA)
where:
Base-Base interactions energy: -364.561
where: short stacking energy: -142.631
Base-Backbone interact. energy: -2.680
local terms energy: -166.583485
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -40.317
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: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -528.992377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.992377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.364905 (E_RNA)
where:
Base-Base interactions energy: -372.376
where: short stacking energy: -153.897
Base-Backbone interact. energy: -0.327
local terms energy: -156.661729
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -43.772
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -516.642336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.642336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.128789 (E_RNA)
where:
Base-Base interactions energy: -350.369
where: short stacking energy: -139.046
Base-Backbone interact. energy: -2.113
local terms energy: -164.646511
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -39.301
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: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -507.732991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.732991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.786762 (E_RNA)
where:
Base-Base interactions energy: -342.161
where: short stacking energy: -142.870
Base-Backbone interact. energy: -0.822
local terms energy: -164.803195
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -499.573963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.573963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.273958 (E_RNA)
where:
Base-Base interactions energy: -360.557
where: short stacking energy: -144.538
Base-Backbone interact. energy: -1.759
local terms energy: -137.957637
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -41.036
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -478.875005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.875005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.605991 (E_RNA)
where:
Base-Base interactions energy: -322.120
where: short stacking energy: -132.320
Base-Backbone interact. energy: 1.105
local terms energy: -158.590624
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -36.301
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -466.226944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.226944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.030147 (E_RNA)
where:
Base-Base interactions energy: -315.809
where: short stacking energy: -125.896
Base-Backbone interact. energy: -0.180
local terms energy: -151.041017
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -430.100763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.100763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.895507 (E_RNA)
where:
Base-Base interactions energy: -302.273
where: short stacking energy: -105.630
Base-Backbone interact. energy: -1.615
local terms energy: -130.007906
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 3.795 (S_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: 410
Temperature: 1.350000
Total energy: -405.371904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.371904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.927616 (E_RNA)
where:
Base-Base interactions energy: -283.982
where: short stacking energy: -104.718
Base-Backbone interact. energy: 1.280
local terms energy: -123.225687
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -25.556
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: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -551.746070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.746070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.063223 (E_RNA)
where:
Base-Base interactions energy: -380.672
where: short stacking energy: -158.060
Base-Backbone interact. energy: 0.876
local terms energy: -172.267677
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -40.945
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: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -528.954003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.954003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.478364 (E_RNA)
where:
Base-Base interactions energy: -376.964
where: short stacking energy: -136.344
Base-Backbone interact. energy: -0.925
local terms energy: -151.590010
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -34.743
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -524.535573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.535573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.202067 (E_RNA)
where:
Base-Base interactions energy: -373.137
where: short stacking energy: -158.921
Base-Backbone interact. energy: -1.491
local terms energy: -150.573680
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -38.524
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -38.797
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -516.353351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.353351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.571678 (E_RNA)
where:
Base-Base interactions energy: -373.305
where: short stacking energy: -148.235
Base-Backbone interact. energy: -1.376
local terms energy: -141.890637
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -42.775
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -494.160297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.160297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.774561 (E_RNA)
where:
Base-Base interactions energy: -338.162
where: short stacking energy: -137.157
Base-Backbone interact. energy: -0.506
local terms energy: -156.106750
where:
bonds (distance) C4'-P energy: -33.153
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -35.677
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: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -479.099591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.099591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.463278 (E_RNA)
where:
Base-Base interactions energy: -350.998
where: short stacking energy: -148.343
Base-Backbone interact. energy: -1.479
local terms energy: -126.985847
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -31.757
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: 411
Temperature: 1.200000
Total energy: -478.236608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.236608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.445914 (E_RNA)
where:
Base-Base interactions energy: -335.979
where: short stacking energy: -135.115
Base-Backbone interact. energy: -0.792
local terms energy: -141.675187
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -32.141
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: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -473.429374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.429374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.005155 (E_RNA)
where:
Base-Base interactions energy: -332.707
where: short stacking energy: -132.711
Base-Backbone interact. energy: 0.312
local terms energy: -141.610375
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -34.500
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -441.922123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.922123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.848678 (E_RNA)
where:
Base-Base interactions energy: -306.890
where: short stacking energy: -109.771
Base-Backbone interact. energy: -0.480
local terms energy: -139.478674
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -35.405
Dist. restrs. and SS energy: 4.927 (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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -418.336638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.336638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.902997 (E_RNA)
where:
Base-Base interactions energy: -288.420
where: short stacking energy: -102.891
Base-Backbone interact. energy: 0.861
local terms energy: -131.343400
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -27.161
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -548.459189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.459189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.827848 (E_RNA)
where:
Base-Base interactions energy: -380.557
where: short stacking energy: -154.478
Base-Backbone interact. energy: -0.992
local terms energy: -167.278861
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -41.546
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -44.151
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -532.343688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.343688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.676571 (E_RNA)
where:
Base-Base interactions energy: -367.619
where: short stacking energy: -157.508
Base-Backbone interact. energy: -0.383
local terms energy: -164.674665
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -33.641
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -47.676
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: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -532.550678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.550678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.682429 (E_RNA)
where:
Base-Base interactions energy: -360.508
where: short stacking energy: -147.104
Base-Backbone interact. energy: 0.400
local terms energy: -172.574538
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -39.747
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -47.414
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: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -526.356027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.356027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.403044 (E_RNA)
where:
Base-Base interactions energy: -372.260
where: short stacking energy: -139.836
Base-Backbone interact. energy: -1.305
local terms energy: -152.837686
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -38.456
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -480.442462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.442462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.784314 (E_RNA)
where:
Base-Base interactions energy: -342.257
where: short stacking energy: -137.347
Base-Backbone interact. energy: -0.639
local terms energy: -137.888652
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -33.609
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: 412
Temperature: 1.150000
Total energy: -486.671229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.671229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.062899 (E_RNA)
where:
Base-Base interactions energy: -328.181
where: short stacking energy: -135.897
Base-Backbone interact. energy: -0.317
local terms energy: -158.564747
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -36.903
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: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -468.214540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.412395 (E_RNA)
where:
Base-Base interactions energy: -313.769
where: short stacking energy: -127.082
Base-Backbone interact. energy: -0.833
local terms energy: -154.810745
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -35.436
Dist. restrs. and SS energy: 1.198 (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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -464.654191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.654191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.420747 (E_RNA)
where:
Base-Base interactions energy: -326.304
where: short stacking energy: -132.519
Base-Backbone interact. energy: -0.535
local terms energy: -139.581335
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -36.443
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -427.196540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.196540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.727451 (E_RNA)
where:
Base-Base interactions energy: -300.094
where: short stacking energy: -116.961
Base-Backbone interact. energy: 0.239
local terms energy: -127.871791
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -29.199
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: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -438.085621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.085621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.883888 (E_RNA)
where:
Base-Base interactions energy: -301.656
where: short stacking energy: -119.101
Base-Backbone interact. energy: -1.983
local terms energy: -140.245149
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 5.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -538.804632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.804632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.021826 (E_RNA)
where:
Base-Base interactions energy: -375.863
where: short stacking energy: -155.632
Base-Backbone interact. energy: -0.560
local terms energy: -162.599322
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -44.058
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -535.530749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.530749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.167518 (E_RNA)
where:
Base-Base interactions energy: -375.408
where: short stacking energy: -145.156
Base-Backbone interact. energy: -0.933
local terms energy: -159.826891
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -40.692
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -530.922004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.922004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.270114 (E_RNA)
where:
Base-Base interactions energy: -361.858
where: short stacking energy: -145.400
Base-Backbone interact. energy: 0.534
local terms energy: -169.946463
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -45.722
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: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -521.135425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.135425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.087945 (E_RNA)
where:
Base-Base interactions energy: -363.767
where: short stacking energy: -157.479
Base-Backbone interact. energy: -0.878
local terms energy: -157.442566
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -39.463
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -488.230830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.230830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.525324 (E_RNA)
where:
Base-Base interactions energy: -335.844
where: short stacking energy: -129.647
Base-Backbone interact. energy: -1.534
local terms energy: -151.146924
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -38.959
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -483.232229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.232229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.413806 (E_RNA)
where:
Base-Base interactions energy: -327.826
where: short stacking energy: -135.414
Base-Backbone interact. energy: -0.240
local terms energy: -156.347242
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -36.195
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -43.297
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -495.893002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.330449 (E_RNA)
where:
Base-Base interactions energy: -337.152
where: short stacking energy: -136.725
Base-Backbone interact. energy: -0.433
local terms energy: -158.746041
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -43.839
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -461.664900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.664900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.935062 (E_RNA)
where:
Base-Base interactions energy: -310.335
where: short stacking energy: -118.658
Base-Backbone interact. energy: -0.952
local terms energy: -150.647711
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -426.633526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.633526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.976958 (E_RNA)
where:
Base-Base interactions energy: -302.290
where: short stacking energy: -109.941
Base-Backbone interact. energy: -1.334
local terms energy: -123.353516
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -26.126
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: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -409.885886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.885886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.486289 (E_RNA)
where:
Base-Base interactions energy: -287.680
where: short stacking energy: -112.080
Base-Backbone interact. energy: -0.987
local terms energy: -121.819045
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -23.196
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: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -550.033936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.033936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.333354 (E_RNA)
where:
Base-Base interactions energy: -381.435
where: short stacking energy: -156.876
Base-Backbone interact. energy: -2.098
local terms energy: -166.800292
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -41.282
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: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -535.539649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.539649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.608119 (E_RNA)
where:
Base-Base interactions energy: -382.844
where: short stacking energy: -151.156
Base-Backbone interact. energy: -1.136
local terms energy: -152.628041
where:
bonds (distance) C4'-P energy: -33.759
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -35.818
Dist. restrs. and SS energy: 1.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -519.347584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.347584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.625542 (E_RNA)
where:
Base-Base interactions energy: -362.675
where: short stacking energy: -149.133
Base-Backbone interact. energy: 0.245
local terms energy: -157.195724
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -43.863
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: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -518.003711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.003711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.083027 (E_RNA)
where:
Base-Base interactions energy: -355.934
where: short stacking energy: -143.824
Base-Backbone interact. energy: 1.579
local terms energy: -163.727655
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -470.456428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.456428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.568218 (E_RNA)
where:
Base-Base interactions energy: -324.163
where: short stacking energy: -129.724
Base-Backbone interact. energy: -0.677
local terms energy: -145.728383
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -37.325
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -497.625389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.625389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.149633 (E_RNA)
where:
Base-Base interactions energy: -336.942
where: short stacking energy: -137.162
Base-Backbone interact. energy: 0.166
local terms energy: -161.374023
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -41.669
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: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -465.602666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.602666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.833500 (E_RNA)
where:
Base-Base interactions energy: -322.040
where: short stacking energy: -133.628
Base-Backbone interact. energy: -0.232
local terms energy: -143.561066
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -37.595
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: 414
Temperature: 1.250000
Total energy: -457.185182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.185182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.573985 (E_RNA)
where:
Base-Base interactions energy: -322.238
where: short stacking energy: -118.238
Base-Backbone interact. energy: -1.949
local terms energy: -133.387681
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -28.877
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -416.074411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.074411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.725437 (E_RNA)
where:
Base-Base interactions energy: -279.726
where: short stacking energy: -114.409
Base-Backbone interact. energy: -1.237
local terms energy: -135.762347
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -26.574
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: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -416.960455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.960455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.122555 (E_RNA)
where:
Base-Base interactions energy: -287.393
where: short stacking energy: -106.899
Base-Backbone interact. energy: 0.119
local terms energy: -130.848707
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -30.673
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -561.746629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.746629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.784966 (E_RNA)
where:
Base-Base interactions energy: -382.413
where: short stacking energy: -156.697
Base-Backbone interact. energy: -4.396
local terms energy: -175.975308
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -34.990
flat angles C4'-P-C4' energy: -37.691
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -50.223
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -551.449551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.449551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.734797 (E_RNA)
where:
Base-Base interactions energy: -377.762
where: short stacking energy: -155.893
Base-Backbone interact. energy: -1.182
local terms energy: -172.790907
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -43.988
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -518.545220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.545220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.932139 (E_RNA)
where:
Base-Base interactions energy: -367.726
where: short stacking energy: -140.815
Base-Backbone interact. energy: 0.489
local terms energy: -151.695174
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -35.263
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: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -522.698787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.698787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.276850 (E_RNA)
where:
Base-Base interactions energy: -364.706
where: short stacking energy: -149.580
Base-Backbone interact. energy: -0.605
local terms energy: -157.966434
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -32.847
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -44.193
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -475.304053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.304053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.062031 (E_RNA)
where:
Base-Base interactions energy: -323.060
where: short stacking energy: -136.436
Base-Backbone interact. energy: -0.324
local terms energy: -152.677899
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -39.106
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: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -495.548962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.548962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.413654 (E_RNA)
where:
Base-Base interactions energy: -343.559
where: short stacking energy: -135.639
Base-Backbone interact. energy: -1.186
local terms energy: -151.668144
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -460.172307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.172307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.363287 (E_RNA)
where:
Base-Base interactions energy: -318.290
where: short stacking energy: -128.194
Base-Backbone interact. energy: -0.438
local terms energy: -141.635546
where:
bonds (distance) C4'-P energy: -28.120
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -35.045
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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -433.284078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.284078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.841855 (E_RNA)
where:
Base-Base interactions energy: -300.547
where: short stacking energy: -106.357
Base-Backbone interact. energy: -0.760
local terms energy: -137.534483
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -33.790
Dist. restrs. and SS energy: 5.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -446.679202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.679202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.152093 (E_RNA)
where:
Base-Base interactions energy: -316.349
where: short stacking energy: -122.723
Base-Backbone interact. energy: -2.096
local terms energy: -128.707697
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -33.285
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -34.194
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: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -411.230067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.230067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.807585 (E_RNA)
where:
Base-Base interactions energy: -288.797
where: short stacking energy: -114.918
Base-Backbone interact. energy: -0.369
local terms energy: -122.641594
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -21.274
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: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -559.542339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.542339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.307521 (E_RNA)
where:
Base-Base interactions energy: -386.642
where: short stacking energy: -154.448
Base-Backbone interact. energy: 1.644
local terms energy: -175.309150
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -48.748
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -550.803144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.803144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.333301 (E_RNA)
where:
Base-Base interactions energy: -384.014
where: short stacking energy: -148.573
Base-Backbone interact. energy: 0.110
local terms energy: -167.429470
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -41.684
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -530.362043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.362043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.947953 (E_RNA)
where:
Base-Base interactions energy: -365.979
where: short stacking energy: -151.720
Base-Backbone interact. energy: 4.612
local terms energy: -169.580372
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -44.118
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -520.372414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.372414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.704863 (E_RNA)
where:
Base-Base interactions energy: -367.141
where: short stacking energy: -148.298
Base-Backbone interact. energy: -0.501
local terms energy: -153.062857
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -36.276
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -39.648
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -487.300164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.300164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.612445 (E_RNA)
where:
Base-Base interactions energy: -330.573
where: short stacking energy: -134.045
Base-Backbone interact. energy: -0.872
local terms energy: -156.167921
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -34.544
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: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -474.285604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.285604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.040679 (E_RNA)
where:
Base-Base interactions energy: -343.709
where: short stacking energy: -138.268
Base-Backbone interact. energy: -1.213
local terms energy: -130.119074
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -31.272
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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -469.637107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.637107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.053457 (E_RNA)
where:
Base-Base interactions energy: -322.923
where: short stacking energy: -137.142
Base-Backbone interact. energy: -0.193
local terms energy: -146.937438
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -34.373
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: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -434.077229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.077229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.382099 (E_RNA)
where:
Base-Base interactions energy: -312.705
where: short stacking energy: -122.186
Base-Backbone interact. energy: -1.146
local terms energy: -125.531225
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -29.769
Dist. restrs. and SS energy: 5.305 (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: 416
Temperature: 1.300000
Total energy: -440.598303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.598303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.981443 (E_RNA)
where:
Base-Base interactions energy: -293.422
where: short stacking energy: -110.109
Base-Backbone interact. energy: -0.988
local terms energy: -146.571551
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -30.815
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -448.805031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.805031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.316798 (E_RNA)
where:
Base-Base interactions energy: -296.096
where: short stacking energy: -110.473
Base-Backbone interact. energy: -1.553
local terms energy: -152.667325
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -21.500
tors. eta vs tors. theta energy: -35.358
Dist. restrs. and SS energy: 1.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -561.750404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.495265 (E_RNA)
where:
Base-Base interactions energy: -386.886
where: short stacking energy: -157.625
Base-Backbone interact. energy: -0.595
local terms energy: -175.014366
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -46.914
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: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -541.799549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.799549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.204610 (E_RNA)
where:
Base-Base interactions energy: -367.974
where: short stacking energy: -160.034
Base-Backbone interact. energy: 0.044
local terms energy: -174.274666
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -34.526
flat angles C4'-P-C4' energy: -39.470
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -47.834
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: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -528.861336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.861336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.172905 (E_RNA)
where:
Base-Base interactions energy: -368.930
where: short stacking energy: -139.108
Base-Backbone interact. energy: -0.939
local terms energy: -159.304401
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -42.470
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -496.014779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.014779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.393137 (E_RNA)
where:
Base-Base interactions energy: -348.539
where: short stacking energy: -142.369
Base-Backbone interact. energy: -0.345
local terms energy: -147.509536
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -37.699
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: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -479.186024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.186024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.496225 (E_RNA)
where:
Base-Base interactions energy: -332.423
where: short stacking energy: -122.282
Base-Backbone interact. energy: 0.188
local terms energy: -147.261276
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -37.512
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: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -495.550061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.550061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.029115 (E_RNA)
where:
Base-Base interactions energy: -351.880
where: short stacking energy: -139.840
Base-Backbone interact. energy: 1.782
local terms energy: -145.930441
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -25.608
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -35.902
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: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -499.887481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.887481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.493249 (E_RNA)
where:
Base-Base interactions energy: -347.240
where: short stacking energy: -148.048
Base-Backbone interact. energy: -0.312
local terms energy: -152.941379
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -43.442
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: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -440.400033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.400033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.703397 (E_RNA)
where:
Base-Base interactions energy: -303.153
where: short stacking energy: -116.339
Base-Backbone interact. energy: 0.061
local terms energy: -137.611830
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -28.748
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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -422.205639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.205639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.208175 (E_RNA)
where:
Base-Base interactions energy: -292.258
where: short stacking energy: -117.146
Base-Backbone interact. energy: 1.505
local terms energy: -136.455920
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -29.840
Dist. restrs. and SS energy: 5.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -442.264694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.264694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.282516 (E_RNA)
where:
Base-Base interactions energy: -306.965
where: short stacking energy: -111.983
Base-Backbone interact. energy: 1.764
local terms energy: -138.081665
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 1.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -556.140002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.140002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.744996 (E_RNA)
where:
Base-Base interactions energy: -375.738
where: short stacking energy: -167.890
Base-Backbone interact. energy: -0.434
local terms energy: -180.572261
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -50.645
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: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -537.997340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.997340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.769303 (E_RNA)
where:
Base-Base interactions energy: -369.046
where: short stacking energy: -151.005
Base-Backbone interact. energy: -1.008
local terms energy: -168.715661
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -31.906
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -505.362971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.362971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.074695 (E_RNA)
where:
Base-Base interactions energy: -353.984
where: short stacking energy: -145.052
Base-Backbone interact. energy: -1.113
local terms energy: -150.977210
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -41.439
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: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -521.847039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.847039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.844533 (E_RNA)
where:
Base-Base interactions energy: -360.537
where: short stacking energy: -144.774
Base-Backbone interact. energy: 0.433
local terms energy: -162.740959
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -37.729
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -41.071
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -501.108666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.108666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.409302 (E_RNA)
where:
Base-Base interactions energy: -349.715
where: short stacking energy: -135.887
Base-Backbone interact. energy: 0.586
local terms energy: -152.280548
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -36.218
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: 418
Temperature: 1.150000
Total energy: -488.507306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.507306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.871335 (E_RNA)
where:
Base-Base interactions energy: -335.857
where: short stacking energy: -139.767
Base-Backbone interact. energy: 0.109
local terms energy: -153.123008
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -41.661
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -458.747261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.747261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.150675 (E_RNA)
where:
Base-Base interactions energy: -315.201
where: short stacking energy: -124.685
Base-Backbone interact. energy: -0.103
local terms energy: -143.846894
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -42.721
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: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -464.960344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.960344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.004698 (E_RNA)
where:
Base-Base interactions energy: -316.019
where: short stacking energy: -127.851
Base-Backbone interact. energy: -0.760
local terms energy: -149.226057
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -38.886
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -416.405534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.405534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.139144 (E_RNA)
where:
Base-Base interactions energy: -282.154
where: short stacking energy: -104.335
Base-Backbone interact. energy: 0.196
local terms energy: -135.181049
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -28.260
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: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -400.391376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.391376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.443598 (E_RNA)
where:
Base-Base interactions energy: -288.707
where: short stacking energy: -113.678
Base-Backbone interact. energy: -0.217
local terms energy: -118.519496
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 7.052 (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: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -543.194728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.194728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.271893 (E_RNA)
where:
Base-Base interactions energy: -372.561
where: short stacking energy: -152.138
Base-Backbone interact. energy: -0.904
local terms energy: -169.807241
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -45.370
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: 419
Temperature: 0.950000
Total energy: -541.595118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.595118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.055323 (E_RNA)
where:
Base-Base interactions energy: -375.366
where: short stacking energy: -144.030
Base-Backbone interact. energy: -0.263
local terms energy: -167.425994
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 1.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -513.014166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.014166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.807989 (E_RNA)
where:
Base-Base interactions energy: -350.416
where: short stacking energy: -146.375
Base-Backbone interact. energy: -0.810
local terms energy: -162.582044
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -40.340
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -43.036
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -520.663747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.663747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.962331 (E_RNA)
where:
Base-Base interactions energy: -358.251
where: short stacking energy: -150.773
Base-Backbone interact. energy: -1.238
local terms energy: -161.473229
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -43.067
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: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -520.713617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.713617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.103283 (E_RNA)
where:
Base-Base interactions energy: -356.890
where: short stacking energy: -149.379
Base-Backbone interact. energy: -1.884
local terms energy: -162.330010
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -45.463
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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -488.264878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.264878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.344789 (E_RNA)
where:
Base-Base interactions energy: -341.864
where: short stacking energy: -142.357
Base-Backbone interact. energy: 0.414
local terms energy: -146.893925
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -44.358
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: 419
Temperature: 1.200000
Total energy: -459.452700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.452700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.086682 (E_RNA)
where:
Base-Base interactions energy: -316.529
where: short stacking energy: -117.541
Base-Backbone interact. energy: 0.133
local terms energy: -143.690867
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -427.521904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.521904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.724274 (E_RNA)
where:
Base-Base interactions energy: -298.609
where: short stacking energy: -114.989
Base-Backbone interact. energy: 4.373
local terms energy: -136.488394
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -24.390
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -439.064578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.064578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.337829 (E_RNA)
where:
Base-Base interactions energy: -311.291
where: short stacking energy: -127.287
Base-Backbone interact. energy: 1.368
local terms energy: -130.415028
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -402.523615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.523615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.838268 (E_RNA)
where:
Base-Base interactions energy: -286.676
where: short stacking energy: -114.127
Base-Backbone interact. energy: -0.458
local terms energy: -116.705135
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -27.697
Dist. restrs. and SS energy: 1.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -560.281644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.281644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.669471 (E_RNA)
where:
Base-Base interactions energy: -384.700
where: short stacking energy: -160.419
Base-Backbone interact. energy: -1.993
local terms energy: -173.976969
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -46.406
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: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -555.783227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.783227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.712447 (E_RNA)
where:
Base-Base interactions energy: -390.217
where: short stacking energy: -156.757
Base-Backbone interact. energy: -0.300
local terms energy: -166.195698
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -35.379
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -42.873
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: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -527.176578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.176578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.125616 (E_RNA)
where:
Base-Base interactions energy: -366.613
where: short stacking energy: -144.962
Base-Backbone interact. energy: -0.617
local terms energy: -160.896457
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -46.205
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: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -505.335870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.335870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.655967 (E_RNA)
where:
Base-Base interactions energy: -352.256
where: short stacking energy: -142.513
Base-Backbone interact. energy: 0.685
local terms energy: -154.084928
where:
bonds (distance) C4'-P energy: -34.702
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -38.075
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -491.586752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.586752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.972810 (E_RNA)
where:
Base-Base interactions energy: -327.439
where: short stacking energy: -134.590
Base-Backbone interact. energy: -1.806
local terms energy: -162.727442
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -38.827
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -487.315513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.543774 (E_RNA)
where:
Base-Base interactions energy: -329.087
where: short stacking energy: -125.995
Base-Backbone interact. energy: 0.850
local terms energy: -160.306252
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -40.964
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -471.978202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.978202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.300759 (E_RNA)
where:
Base-Base interactions energy: -328.739
where: short stacking energy: -125.117
Base-Backbone interact. energy: 0.936
local terms energy: -144.498412
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -32.014
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: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -425.537843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.537843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.245686 (E_RNA)
where:
Base-Base interactions energy: -301.533
where: short stacking energy: -111.243
Base-Backbone interact. energy: 0.603
local terms energy: -131.315602
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 6.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -421.442144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.442144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.956594 (E_RNA)
where:
Base-Base interactions energy: -287.318
where: short stacking energy: -104.608
Base-Backbone interact. energy: -0.280
local terms energy: -134.357979
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -27.660
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: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -424.969813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.969813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.329202 (E_RNA)
where:
Base-Base interactions energy: -292.014
where: short stacking energy: -104.881
Base-Backbone interact. energy: -0.753
local terms energy: -132.562941
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -34.746
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: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -549.131981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.131981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.418690 (E_RNA)
where:
Base-Base interactions energy: -380.260
where: short stacking energy: -154.869
Base-Backbone interact. energy: -0.745
local terms energy: -168.414450
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -44.446
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: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -549.723067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.723067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.511125 (E_RNA)
where:
Base-Base interactions energy: -375.009
where: short stacking energy: -151.233
Base-Backbone interact. energy: -0.182
local terms energy: -175.320329
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -43.764
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: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -524.104187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.104187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.493976 (E_RNA)
where:
Base-Base interactions energy: -368.050
where: short stacking energy: -147.573
Base-Backbone interact. energy: -0.916
local terms energy: -155.527695
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -36.663
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -37.490
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: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -518.404617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.404617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.295151 (E_RNA)
where:
Base-Base interactions energy: -352.737
where: short stacking energy: -144.389
Base-Backbone interact. energy: -0.499
local terms energy: -166.059036
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -496.630948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.630948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.198879 (E_RNA)
where:
Base-Base interactions energy: -348.119
where: short stacking energy: -146.494
Base-Backbone interact. energy: -0.431
local terms energy: -148.648970
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -26.030
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -42.422
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -499.546568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.546568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.036273 (E_RNA)
where:
Base-Base interactions energy: -351.637
where: short stacking energy: -154.328
Base-Backbone interact. energy: -0.245
local terms energy: -148.154283
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -41.904
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: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -491.607702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.607702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.053645 (E_RNA)
where:
Base-Base interactions energy: -334.765
where: short stacking energy: -134.088
Base-Backbone interact. energy: 0.050
local terms energy: -157.338758
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -38.104
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -416.617801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.617801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.210102 (E_RNA)
where:
Base-Base interactions energy: -295.916
where: short stacking energy: -123.154
Base-Backbone interact. energy: -0.946
local terms energy: -120.348001
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -31.744
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -426.141819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.141819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.049531 (E_RNA)
where:
Base-Base interactions energy: -297.070
where: short stacking energy: -123.427
Base-Backbone interact. energy: -1.011
local terms energy: -128.968672
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -30.609
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: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -420.397897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.397897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.616592 (E_RNA)
where:
Base-Base interactions energy: -309.815
where: short stacking energy: -115.489
Base-Backbone interact. energy: 0.560
local terms energy: -111.361511
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -24.883
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: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -568.684876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.684876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.327255 (E_RNA)
where:
Base-Base interactions energy: -397.662
where: short stacking energy: -154.922
Base-Backbone interact. energy: 0.004
local terms energy: -172.669942
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -40.393
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -43.411
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -544.510673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.510673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.105364 (E_RNA)
where:
Base-Base interactions energy: -374.526
where: short stacking energy: -149.934
Base-Backbone interact. energy: -0.903
local terms energy: -169.676721
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -45.950
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -527.403371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.403371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.877838 (E_RNA)
where:
Base-Base interactions energy: -356.846
where: short stacking energy: -141.487
Base-Backbone interact. energy: -0.698
local terms energy: -170.334241
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -44.314
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -546.116492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.116492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.663128 (E_RNA)
where:
Base-Base interactions energy: -385.297
where: short stacking energy: -158.883
Base-Backbone interact. energy: 0.457
local terms energy: -161.822927
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -42.689
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: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -509.229556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.229556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.831058 (E_RNA)
where:
Base-Base interactions energy: -349.351
where: short stacking energy: -139.609
Base-Backbone interact. energy: -0.983
local terms energy: -159.496530
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -35.385
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: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -476.248508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.248508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.128475 (E_RNA)
where:
Base-Base interactions energy: -331.731
where: short stacking energy: -132.786
Base-Backbone interact. energy: -0.917
local terms energy: -144.481128
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -31.771
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: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -474.717273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.717273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.623734 (E_RNA)
where:
Base-Base interactions energy: -340.843
where: short stacking energy: -123.929
Base-Backbone interact. energy: -1.003
local terms energy: -133.777876
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -32.114
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -29.392
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: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -430.589068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.589068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.399800 (E_RNA)
where:
Base-Base interactions energy: -291.681
where: short stacking energy: -110.668
Base-Backbone interact. energy: 4.410
local terms energy: -144.128061
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -450.043199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.043199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.787094 (E_RNA)
where:
Base-Base interactions energy: -318.582
where: short stacking energy: -122.221
Base-Backbone interact. energy: -0.142
local terms energy: -133.063530
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -431.225768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.225768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.460070 (E_RNA)
where:
Base-Base interactions energy: -301.996
where: short stacking energy: -112.834
Base-Backbone interact. energy: -0.868
local terms energy: -128.596192
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -28.957
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -32.557
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: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -557.055628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.055628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.269958 (E_RNA)
where:
Base-Base interactions energy: -387.787
where: short stacking energy: -152.620
Base-Backbone interact. energy: -1.821
local terms energy: -168.662731
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -543.103937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.103937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.345430 (E_RNA)
where:
Base-Base interactions energy: -365.830
where: short stacking energy: -144.201
Base-Backbone interact. energy: -0.355
local terms energy: -177.159993
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -46.088
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: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -529.216073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.216073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.344667 (E_RNA)
where:
Base-Base interactions energy: -373.779
where: short stacking energy: -155.705
Base-Backbone interact. energy: -1.083
local terms energy: -154.482174
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -42.841
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: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -515.087273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.087273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.815439 (E_RNA)
where:
Base-Base interactions energy: -361.917
where: short stacking energy: -142.848
Base-Backbone interact. energy: -0.357
local terms energy: -153.541483
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -33.288
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -503.130700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.130700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.235501 (E_RNA)
where:
Base-Base interactions energy: -344.686
where: short stacking energy: -137.252
Base-Backbone interact. energy: 1.780
local terms energy: -160.329360
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -37.204
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: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -503.956551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.956551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.000447 (E_RNA)
where:
Base-Base interactions energy: -347.262
where: short stacking energy: -137.713
Base-Backbone interact. energy: 0.343
local terms energy: -158.081620
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -40.478
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -488.492293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.492293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.802605 (E_RNA)
where:
Base-Base interactions energy: -337.733
where: short stacking energy: -130.660
Base-Backbone interact. energy: -0.524
local terms energy: -150.545757
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -26.889
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -34.485
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: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -445.871411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.871411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.989261 (E_RNA)
where:
Base-Base interactions energy: -311.470
where: short stacking energy: -116.967
Base-Backbone interact. energy: -1.191
local terms energy: -134.328214
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -30.049
Dist. restrs. and SS energy: 1.118 (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: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -424.374706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.635962 (E_RNA)
where:
Base-Base interactions energy: -293.134
where: short stacking energy: -112.505
Base-Backbone interact. energy: -0.560
local terms energy: -130.941641
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -423.814939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.814939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.186489 (E_RNA)
where:
Base-Base interactions energy: -282.363
where: short stacking energy: -104.135
Base-Backbone interact. energy: -0.136
local terms energy: -142.687804
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -32.731
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -560.758158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.758158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.233123 (E_RNA)
where:
Base-Base interactions energy: -391.432
where: short stacking energy: -157.139
Base-Backbone interact. energy: -1.403
local terms energy: -168.398772
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -42.674
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: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -561.725607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.725607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.870765 (E_RNA)
where:
Base-Base interactions energy: -398.649
where: short stacking energy: -161.395
Base-Backbone interact. energy: -0.583
local terms energy: -163.638063
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -39.609
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -526.378000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.378000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.007547 (E_RNA)
where:
Base-Base interactions energy: -368.246
where: short stacking energy: -146.449
Base-Backbone interact. energy: 0.867
local terms energy: -159.628373
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -40.895
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: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -523.855202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.855202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.088392 (E_RNA)
where:
Base-Base interactions energy: -359.865
where: short stacking energy: -144.380
Base-Backbone interact. energy: -0.736
local terms energy: -163.487047
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -44.903
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -515.807834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.807834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.411848 (E_RNA)
where:
Base-Base interactions energy: -375.100
where: short stacking energy: -161.249
Base-Backbone interact. energy: -0.310
local terms energy: -141.001819
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -494.810626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.810626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.204752 (E_RNA)
where:
Base-Base interactions energy: -342.540
where: short stacking energy: -131.617
Base-Backbone interact. energy: -0.121
local terms energy: -152.544314
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -36.502
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -474.465985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.465985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.215345 (E_RNA)
where:
Base-Base interactions energy: -335.615
where: short stacking energy: -129.764
Base-Backbone interact. energy: -0.779
local terms energy: -140.820875
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -476.628536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.628536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.188721 (E_RNA)
where:
Base-Base interactions energy: -335.696
where: short stacking energy: -134.584
Base-Backbone interact. energy: -0.091
local terms energy: -141.402416
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -32.990
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -33.430
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -435.295070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.295070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.839206 (E_RNA)
where:
Base-Base interactions energy: -307.848
where: short stacking energy: -121.030
Base-Backbone interact. energy: -0.457
local terms energy: -127.534034
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -30.526
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: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -404.731882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.731882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.030855 (E_RNA)
where:
Base-Base interactions energy: -273.290
where: short stacking energy: -96.441
Base-Backbone interact. energy: -1.323
local terms energy: -130.417430
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -27.417
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -558.867078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.867078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.061215 (E_RNA)
where:
Base-Base interactions energy: -384.276
where: short stacking energy: -146.641
Base-Backbone interact. energy: -0.772
local terms energy: -174.013781
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -47.681
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -538.061602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.061602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.904296 (E_RNA)
where:
Base-Base interactions energy: -381.619
where: short stacking energy: -155.132
Base-Backbone interact. energy: -0.949
local terms energy: -156.335738
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -37.363
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: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -539.340379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.340379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.553347 (E_RNA)
where:
Base-Base interactions energy: -371.092
where: short stacking energy: -141.277
Base-Backbone interact. energy: -1.485
local terms energy: -167.976261
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 1.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -518.219462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.219462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.558090 (E_RNA)
where:
Base-Base interactions energy: -361.998
where: short stacking energy: -155.784
Base-Backbone interact. energy: -1.025
local terms energy: -155.535160
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -40.636
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: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -493.518359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.518359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.634082 (E_RNA)
where:
Base-Base interactions energy: -339.609
where: short stacking energy: -138.705
Base-Backbone interact. energy: -0.825
local terms energy: -153.200411
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -36.623
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: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -452.004095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.004095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.397905 (E_RNA)
where:
Base-Base interactions energy: -307.551
where: short stacking energy: -115.243
Base-Backbone interact. energy: -0.626
local terms energy: -145.220953
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -475.740703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.740703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.499133 (E_RNA)
where:
Base-Base interactions energy: -330.359
where: short stacking energy: -130.095
Base-Backbone interact. energy: 0.061
local terms energy: -148.201260
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -34.319
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -35.321
Dist. restrs. and SS energy: 2.758 (S_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: 425
Temperature: 1.250000
Total energy: -463.653223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.653223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.290098 (E_RNA)
where:
Base-Base interactions energy: -329.539
where: short stacking energy: -124.558
Base-Backbone interact. energy: 1.333
local terms energy: -136.083715
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -35.980
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -33.858
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -424.762931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.762931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.197666 (E_RNA)
where:
Base-Base interactions energy: -292.139
where: short stacking energy: -112.560
Base-Backbone interact. energy: -0.137
local terms energy: -134.921732
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 2.435 (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: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -439.516463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.516463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.389819 (E_RNA)
where:
Base-Base interactions energy: -308.145
where: short stacking energy: -123.254
Base-Backbone interact. energy: -0.059
local terms energy: -132.185879
where:
bonds (distance) C4'-P energy: -29.225
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -551.052124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.052124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.130153 (E_RNA)
where:
Base-Base interactions energy: -372.105
where: short stacking energy: -150.938
Base-Backbone interact. energy: -0.557
local terms energy: -178.468415
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -36.750
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -37.991
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: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -547.284372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.284372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.755753 (E_RNA)
where:
Base-Base interactions energy: -381.799
where: short stacking energy: -149.923
Base-Backbone interact. energy: -0.590
local terms energy: -165.366670
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -43.580
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: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -529.703173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.703173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.705179 (E_RNA)
where:
Base-Base interactions energy: -368.107
where: short stacking energy: -143.131
Base-Backbone interact. energy: -0.447
local terms energy: -162.151662
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -48.091
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -522.430964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.430964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.124394 (E_RNA)
where:
Base-Base interactions energy: -363.985
where: short stacking energy: -142.658
Base-Backbone interact. energy: -0.923
local terms energy: -158.215690
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -40.283
Dist. restrs. and SS energy: 0.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -501.210987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.210987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.685772 (E_RNA)
where:
Base-Base interactions energy: -348.292
where: short stacking energy: -128.779
Base-Backbone interact. energy: -0.275
local terms energy: -153.118744
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -36.372
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -33.494
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: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -459.360114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.360114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.030835 (E_RNA)
where:
Base-Base interactions energy: -311.417
where: short stacking energy: -122.486
Base-Backbone interact. energy: 2.047
local terms energy: -150.661297
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -39.741
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -492.663371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.663371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.887950 (E_RNA)
where:
Base-Base interactions energy: -339.554
where: short stacking energy: -135.041
Base-Backbone interact. energy: -0.593
local terms energy: -152.741622
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -40.271
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: 426
Temperature: 1.250000
Total energy: -444.278544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.278544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.683894 (E_RNA)
where:
Base-Base interactions energy: -316.971
where: short stacking energy: -126.882
Base-Backbone interact. energy: 0.852
local terms energy: -128.564743
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -29.714
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: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -435.603153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.603153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.941128 (E_RNA)
where:
Base-Base interactions energy: -301.532
where: short stacking energy: -117.869
Base-Backbone interact. energy: 0.885
local terms energy: -136.293955
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -26.826
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: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -440.931964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.931964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.075237 (E_RNA)
where:
Base-Base interactions energy: -294.091
where: short stacking energy: -114.882
Base-Backbone interact. energy: -0.751
local terms energy: -147.232998
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -556.702367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.702367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.108413 (E_RNA)
where:
Base-Base interactions energy: -389.844
where: short stacking energy: -157.933
Base-Backbone interact. energy: -0.293
local terms energy: -166.971392
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -33.309
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -557.031550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.031550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.131007 (E_RNA)
where:
Base-Base interactions energy: -386.669
where: short stacking energy: -155.333
Base-Backbone interact. energy: -1.084
local terms energy: -169.377615
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -45.180
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -523.713189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.713189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.445459 (E_RNA)
where:
Base-Base interactions energy: -355.171
where: short stacking energy: -142.708
Base-Backbone interact. energy: -0.414
local terms energy: -168.860312
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -43.177
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -525.845349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.845349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.078960 (E_RNA)
where:
Base-Base interactions energy: -372.803
where: short stacking energy: -149.785
Base-Backbone interact. energy: 1.505
local terms energy: -154.781153
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -40.388
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: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -517.638297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.638297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.295243 (E_RNA)
where:
Base-Base interactions energy: -358.126
where: short stacking energy: -136.882
Base-Backbone interact. energy: -0.421
local terms energy: -159.748264
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -38.642
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: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -506.062314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.062314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.159583 (E_RNA)
where:
Base-Base interactions energy: -344.458
where: short stacking energy: -141.126
Base-Backbone interact. energy: -0.735
local terms energy: -160.966762
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -40.904
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -465.899824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.899824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.125417 (E_RNA)
where:
Base-Base interactions energy: -332.255
where: short stacking energy: -117.849
Base-Backbone interact. energy: -0.463
local terms energy: -133.408031
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -32.742
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -449.353850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.353850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.924679 (E_RNA)
where:
Base-Base interactions energy: -302.076
where: short stacking energy: -116.375
Base-Backbone interact. energy: 1.181
local terms energy: -149.029486
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -32.557
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: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -433.834730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.834730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.287606 (E_RNA)
where:
Base-Base interactions energy: -304.461
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.152
local terms energy: -129.674226
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -27.518
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: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -437.946464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.946464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.220316 (E_RNA)
where:
Base-Base interactions energy: -303.862
where: short stacking energy: -116.239
Base-Backbone interact. energy: 0.304
local terms energy: -135.662987
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -555.907349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.907349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.165622 (E_RNA)
where:
Base-Base interactions energy: -370.361
where: short stacking energy: -148.854
Base-Backbone interact. energy: -2.723
local terms energy: -183.082218
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -36.914
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -41.701
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -540.825702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.825702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.386120 (E_RNA)
where:
Base-Base interactions energy: -386.214
where: short stacking energy: -167.683
Base-Backbone interact. energy: -0.586
local terms energy: -154.586322
where:
bonds (distance) C4'-P energy: -29.444
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -46.740
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: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -525.291801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.291801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.630024 (E_RNA)
where:
Base-Base interactions energy: -364.276
where: short stacking energy: -141.382
Base-Backbone interact. energy: -0.891
local terms energy: -160.463156
where:
bonds (distance) C4'-P energy: -33.986
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -39.962
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: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -506.348778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.348778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.620633 (E_RNA)
where:
Base-Base interactions energy: -357.413
where: short stacking energy: -141.905
Base-Backbone interact. energy: 0.288
local terms energy: -150.495098
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -35.836
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: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -512.433661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.433661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.084220 (E_RNA)
where:
Base-Base interactions energy: -349.230
where: short stacking energy: -136.993
Base-Backbone interact. energy: -0.837
local terms energy: -163.017638
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -43.586
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -477.107051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.107051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.864811 (E_RNA)
where:
Base-Base interactions energy: -318.378
where: short stacking energy: -114.723
Base-Backbone interact. energy: -0.746
local terms energy: -158.740713
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -29.801
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: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -463.509482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.509482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.660573 (E_RNA)
where:
Base-Base interactions energy: -319.338
where: short stacking energy: -117.059
Base-Backbone interact. energy: -2.272
local terms energy: -142.050867
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -38.848
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: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -454.337836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.337836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.896627 (E_RNA)
where:
Base-Base interactions energy: -316.345
where: short stacking energy: -114.538
Base-Backbone interact. energy: -1.657
local terms energy: -136.894605
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -30.708
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -31.618
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: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -404.481754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.481754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.705935 (E_RNA)
where:
Base-Base interactions energy: -287.601
where: short stacking energy: -101.409
Base-Backbone interact. energy: -1.197
local terms energy: -115.907832
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -25.016
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -416.004902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.004902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.218796 (E_RNA)
where:
Base-Base interactions energy: -285.494
where: short stacking energy: -110.794
Base-Backbone interact. energy: -0.807
local terms energy: -129.918277
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -26.654
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: 429
Temperature: 0.900000
Total energy: -548.091709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.091709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.568063 (E_RNA)
where:
Base-Base interactions energy: -377.520
where: short stacking energy: -155.501
Base-Backbone interact. energy: -0.435
local terms energy: -170.613265
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -45.612
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: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -561.926164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.926164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.350443 (E_RNA)
where:
Base-Base interactions energy: -388.730
where: short stacking energy: -151.131
Base-Backbone interact. energy: -0.705
local terms energy: -172.915778
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -35.904
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -44.491
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: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -521.518544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.518544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.611155 (E_RNA)
where:
Base-Base interactions energy: -369.453
where: short stacking energy: -146.304
Base-Backbone interact. energy: -0.923
local terms energy: -151.235814
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -41.018
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: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -522.290076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.290076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.770826 (E_RNA)
where:
Base-Base interactions energy: -354.076
where: short stacking energy: -144.084
Base-Backbone interact. energy: 0.676
local terms energy: -169.370604
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -491.121945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.121945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.979719 (E_RNA)
where:
Base-Base interactions energy: -347.463
where: short stacking energy: -136.712
Base-Backbone interact. energy: -0.705
local terms energy: -143.811915
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -39.671
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: -39.765
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -486.212301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.212301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.673014 (E_RNA)
where:
Base-Base interactions energy: -344.963
where: short stacking energy: -128.818
Base-Backbone interact. energy: 0.529
local terms energy: -142.238713
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -33.681
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: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -472.413621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.413621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.064135 (E_RNA)
where:
Base-Base interactions energy: -318.087
where: short stacking energy: -121.039
Base-Backbone interact. energy: 0.434
local terms energy: -155.410554
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -34.551
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: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -441.707431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.707431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.162460 (E_RNA)
where:
Base-Base interactions energy: -311.930
where: short stacking energy: -117.017
Base-Backbone interact. energy: -0.794
local terms energy: -129.438902
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -27.895
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: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -424.076687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.076687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.384673 (E_RNA)
where:
Base-Base interactions energy: -302.342
where: short stacking energy: -118.163
Base-Backbone interact. energy: -1.924
local terms energy: -120.119245
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -33.523
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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -429.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.990699 (E_RNA)
where:
Base-Base interactions energy: -308.172
where: short stacking energy: -120.551
Base-Backbone interact. energy: -1.244
local terms energy: -120.574576
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -32.790
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: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -549.335053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.335053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.993323 (E_RNA)
where:
Base-Base interactions energy: -369.014
where: short stacking energy: -149.641
Base-Backbone interact. energy: -0.708
local terms energy: -180.271643
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -39.633
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: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -551.230212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.230212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.728099 (E_RNA)
where:
Base-Base interactions energy: -388.213
where: short stacking energy: -157.667
Base-Backbone interact. energy: -0.584
local terms energy: -162.931454
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -22.120
tors. eta vs tors. theta energy: -40.749
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: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -541.712351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.961834 (E_RNA)
where:
Base-Base interactions energy: -381.275
where: short stacking energy: -155.317
Base-Backbone interact. energy: -0.276
local terms energy: -160.410471
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -38.214
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -43.478
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -520.496090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.496090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.152121 (E_RNA)
where:
Base-Base interactions energy: -368.716
where: short stacking energy: -146.951
Base-Backbone interact. energy: -1.255
local terms energy: -151.181192
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -41.728
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -498.558248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.558248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.410920 (E_RNA)
where:
Base-Base interactions energy: -337.320
where: short stacking energy: -125.232
Base-Backbone interact. energy: 1.134
local terms energy: -163.224960
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -38.054
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -38.271
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: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -493.105034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.105034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.637944 (E_RNA)
where:
Base-Base interactions energy: -336.681
where: short stacking energy: -140.179
Base-Backbone interact. energy: -0.436
local terms energy: -157.521280
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -40.658
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -479.741798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.741798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.252558 (E_RNA)
where:
Base-Base interactions energy: -344.811
where: short stacking energy: -132.448
Base-Backbone interact. energy: -0.837
local terms energy: -134.604230
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -33.703
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -37.367
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -434.988208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.988208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.561121 (E_RNA)
where:
Base-Base interactions energy: -306.969
where: short stacking energy: -114.171
Base-Backbone interact. energy: -0.477
local terms energy: -128.115344
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -445.071790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.071790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.653079 (E_RNA)
where:
Base-Base interactions energy: -302.948
where: short stacking energy: -124.375
Base-Backbone interact. energy: -0.862
local terms energy: -141.843894
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -33.758
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -413.589573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.589573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.667379 (E_RNA)
where:
Base-Base interactions energy: -287.411
where: short stacking energy: -101.689
Base-Backbone interact. energy: -0.497
local terms energy: -125.760084
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -549.832912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.832912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.680202 (E_RNA)
where:
Base-Base interactions energy: -370.725
where: short stacking energy: -161.969
Base-Backbone interact. energy: -1.646
local terms energy: -178.308726
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -47.888
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -543.078347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.078347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.208255 (E_RNA)
where:
Base-Base interactions energy: -381.408
where: short stacking energy: -156.225
Base-Backbone interact. energy: 0.220
local terms energy: -162.020155
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -43.624
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: 431
Temperature: 1.000000
Total energy: -534.243444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.243444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.039558 (E_RNA)
where:
Base-Base interactions energy: -370.037
where: short stacking energy: -156.917
Base-Backbone interact. energy: 2.020
local terms energy: -167.022711
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -35.984
flat angles C4'-P-C4' energy: -40.246
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -36.593
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: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -516.251442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.251442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.628384 (E_RNA)
where:
Base-Base interactions energy: -356.568
where: short stacking energy: -135.832
Base-Backbone interact. energy: -0.893
local terms energy: -159.167634
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -43.083
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -493.093288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.093288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.792893 (E_RNA)
where:
Base-Base interactions energy: -330.090
where: short stacking energy: -135.113
Base-Backbone interact. energy: 0.610
local terms energy: -164.313692
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -41.461
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: 431
Temperature: 1.150000
Total energy: -489.587218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.587218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.232765 (E_RNA)
where:
Base-Base interactions energy: -335.418
where: short stacking energy: -123.066
Base-Backbone interact. energy: -0.884
local terms energy: -153.930711
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -28.676
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -35.339
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: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -481.575426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.575426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.687704 (E_RNA)
where:
Base-Base interactions energy: -329.845
where: short stacking energy: -134.533
Base-Backbone interact. energy: -0.053
local terms energy: -152.790043
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -441.697956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.697956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.381701 (E_RNA)
where:
Base-Base interactions energy: -301.118
where: short stacking energy: -112.914
Base-Backbone interact. energy: -0.969
local terms energy: -140.294817
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -441.704757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.704757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.949566 (E_RNA)
where:
Base-Base interactions energy: -309.091
where: short stacking energy: -114.399
Base-Backbone interact. energy: -0.232
local terms energy: -132.626916
where:
bonds (distance) C4'-P energy: -30.092
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -30.549
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: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -413.486367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.486367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.947312 (E_RNA)
where:
Base-Base interactions energy: -295.494
where: short stacking energy: -112.669
Base-Backbone interact. energy: -0.151
local terms energy: -118.302085
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -23.658
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: 432
Temperature: 0.900000
Total energy: -548.782217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.782217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.258042 (E_RNA)
where:
Base-Base interactions energy: -384.776
where: short stacking energy: -143.197
Base-Backbone interact. energy: 0.590
local terms energy: -165.071923
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -46.908
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: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -542.975174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.975174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.988431 (E_RNA)
where:
Base-Base interactions energy: -361.676
where: short stacking energy: -152.843
Base-Backbone interact. energy: -0.324
local terms energy: -181.988845
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -39.638
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 1.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -530.452802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.452802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.831037 (E_RNA)
where:
Base-Base interactions energy: -375.731
where: short stacking energy: -151.537
Base-Backbone interact. energy: 1.077
local terms energy: -156.177397
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -35.145
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -513.005524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.005524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.276329 (E_RNA)
where:
Base-Base interactions energy: -355.552
where: short stacking energy: -136.338
Base-Backbone interact. energy: -0.794
local terms energy: -156.930175
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -37.424
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -40.673
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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -491.165461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.165461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.479185 (E_RNA)
where:
Base-Base interactions energy: -343.159
where: short stacking energy: -147.688
Base-Backbone interact. energy: -0.005
local terms energy: -148.314258
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -37.415
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -487.296540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.296540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.845354 (E_RNA)
where:
Base-Base interactions energy: -336.252
where: short stacking energy: -138.815
Base-Backbone interact. energy: -1.880
local terms energy: -149.713042
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -38.794
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: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -455.922945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.922945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.208884 (E_RNA)
where:
Base-Base interactions energy: -313.481
where: short stacking energy: -132.900
Base-Backbone interact. energy: -0.570
local terms energy: -142.157675
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -33.355
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: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -434.162058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.162058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.829603 (E_RNA)
where:
Base-Base interactions energy: -295.964
where: short stacking energy: -119.739
Base-Backbone interact. energy: -1.278
local terms energy: -137.587698
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -27.622
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: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -425.845290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.398606 (E_RNA)
where:
Base-Base interactions energy: -313.366
where: short stacking energy: -114.306
Base-Backbone interact. energy: 2.649
local terms energy: -115.681229
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -27.947
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: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -430.602793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.602793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.361469 (E_RNA)
where:
Base-Base interactions energy: -294.342
where: short stacking energy: -117.548
Base-Backbone interact. energy: -1.090
local terms energy: -135.929326
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -32.017
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: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -559.775108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.775108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.962106 (E_RNA)
where:
Base-Base interactions energy: -383.483
where: short stacking energy: -163.032
Base-Backbone interact. energy: -1.152
local terms energy: -175.326840
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -45.646
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: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -550.104685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.104685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.974093 (E_RNA)
where:
Base-Base interactions energy: -379.131
where: short stacking energy: -159.227
Base-Backbone interact. energy: -0.128
local terms energy: -171.714735
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -46.590
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -540.575575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.575575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.889811 (E_RNA)
where:
Base-Base interactions energy: -380.158
where: short stacking energy: -149.394
Base-Backbone interact. energy: -0.559
local terms energy: -161.173380
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -37.694
Dist. restrs. and SS energy: 1.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -521.875261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.875261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.427180 (E_RNA)
where:
Base-Base interactions energy: -362.984
where: short stacking energy: -148.099
Base-Backbone interact. energy: -0.837
local terms energy: -158.605680
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -39.507
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -45.048
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: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -506.865021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.865021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.194495 (E_RNA)
where:
Base-Base interactions energy: -343.478
where: short stacking energy: -126.599
Base-Backbone interact. energy: -0.405
local terms energy: -163.311249
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -38.512
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -43.480
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: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -493.873379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.873379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.983724 (E_RNA)
where:
Base-Base interactions energy: -346.128
where: short stacking energy: -144.490
Base-Backbone interact. energy: 0.125
local terms energy: -148.980151
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 1.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -444.615917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.615917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.900961 (E_RNA)
where:
Base-Base interactions energy: -297.583
where: short stacking energy: -118.451
Base-Backbone interact. energy: -0.352
local terms energy: -146.965095
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -30.389
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -30.197
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: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -444.275936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.275936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.645449 (E_RNA)
where:
Base-Base interactions energy: -307.500
where: short stacking energy: -128.149
Base-Backbone interact. energy: -1.707
local terms energy: -135.438471
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -33.161
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -436.925457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.925457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.735162 (E_RNA)
where:
Base-Base interactions energy: -302.103
where: short stacking energy: -109.326
Base-Backbone interact. energy: -0.876
local terms energy: -134.756501
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -36.162
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -432.040151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.040151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.332755 (E_RNA)
where:
Base-Base interactions energy: -310.470
where: short stacking energy: -132.174
Base-Backbone interact. energy: -0.658
local terms energy: -121.204885
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -549.744353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.744353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.274757 (E_RNA)
where:
Base-Base interactions energy: -379.019
where: short stacking energy: -157.045
Base-Backbone interact. energy: -0.956
local terms energy: -170.299822
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -42.137
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: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -540.782455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.782455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.879851 (E_RNA)
where:
Base-Base interactions energy: -366.164
where: short stacking energy: -144.563
Base-Backbone interact. energy: 0.858
local terms energy: -175.574096
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -36.890
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -516.310580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.310580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.633805 (E_RNA)
where:
Base-Base interactions energy: -355.585
where: short stacking energy: -139.323
Base-Backbone interact. energy: 3.794
local terms energy: -164.843072
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -44.015
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -512.366877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.366877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.188373 (E_RNA)
where:
Base-Base interactions energy: -347.290
where: short stacking energy: -123.557
Base-Backbone interact. energy: -1.406
local terms energy: -165.492029
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -36.728
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -514.609989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.609989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.325422 (E_RNA)
where:
Base-Base interactions energy: -364.526
where: short stacking energy: -154.467
Base-Backbone interact. energy: -0.888
local terms energy: -149.911610
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -40.312
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: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -517.707606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.707606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.245816 (E_RNA)
where:
Base-Base interactions energy: -356.662
where: short stacking energy: -163.041
Base-Backbone interact. energy: 0.741
local terms energy: -162.325126
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -47.416
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -468.640517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.640517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.040759 (E_RNA)
where:
Base-Base interactions energy: -329.599
where: short stacking energy: -118.876
Base-Backbone interact. energy: -1.552
local terms energy: -137.889478
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -441.755553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.755553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.372622 (E_RNA)
where:
Base-Base interactions energy: -310.447
where: short stacking energy: -122.461
Base-Backbone interact. energy: -0.083
local terms energy: -131.842263
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -27.095
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: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -432.089651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.089651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.738032 (E_RNA)
where:
Base-Base interactions energy: -301.027
where: short stacking energy: -116.225
Base-Backbone interact. energy: 0.605
local terms energy: -132.316555
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -31.332
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: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -432.664872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.664872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.380268 (E_RNA)
where:
Base-Base interactions energy: -303.677
where: short stacking energy: -114.431
Base-Backbone interact. energy: -0.432
local terms energy: -129.271851
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -29.611
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: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -552.129479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.129479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.365808 (E_RNA)
where:
Base-Base interactions energy: -379.814
where: short stacking energy: -154.253
Base-Backbone interact. energy: -0.763
local terms energy: -171.789294
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -43.927
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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -547.378250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.378250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.834442 (E_RNA)
where:
Base-Base interactions energy: -379.617
where: short stacking energy: -149.595
Base-Backbone interact. energy: -0.784
local terms energy: -167.433424
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -45.453
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: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -536.290336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.290336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.528601 (E_RNA)
where:
Base-Base interactions energy: -364.185
where: short stacking energy: -145.690
Base-Backbone interact. energy: -0.776
local terms energy: -171.567665
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -38.303
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -42.082
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: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -501.761283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.761283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.209293 (E_RNA)
where:
Base-Base interactions energy: -346.450
where: short stacking energy: -137.977
Base-Backbone interact. energy: -0.886
local terms energy: -154.873422
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -39.567
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: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -501.785877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.785877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.367077 (E_RNA)
where:
Base-Base interactions energy: -349.864
where: short stacking energy: -133.923
Base-Backbone interact. energy: 1.481
local terms energy: -153.984485
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -36.511
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -497.942120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.942120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.764481 (E_RNA)
where:
Base-Base interactions energy: -336.301
where: short stacking energy: -136.882
Base-Backbone interact. energy: -1.638
local terms energy: -160.826236
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -38.430
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -39.289
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: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -478.608648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.608648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.812890 (E_RNA)
where:
Base-Base interactions energy: -326.550
where: short stacking energy: -135.986
Base-Backbone interact. energy: -0.343
local terms energy: -151.918906
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -438.227847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.227847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.460092 (E_RNA)
where:
Base-Base interactions energy: -315.998
where: short stacking energy: -113.715
Base-Backbone interact. energy: 2.714
local terms energy: -126.175797
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -416.388601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.388601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.831718 (E_RNA)
where:
Base-Base interactions energy: -291.525
where: short stacking energy: -116.661
Base-Backbone interact. energy: 2.674
local terms energy: -127.981288
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -27.448
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: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -423.267158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.267158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.531338 (E_RNA)
where:
Base-Base interactions energy: -286.827
where: short stacking energy: -109.966
Base-Backbone interact. energy: -0.157
local terms energy: -136.547180
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -27.199
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: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -552.213926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.213926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.808602 (E_RNA)
where:
Base-Base interactions energy: -376.540
where: short stacking energy: -160.100
Base-Backbone interact. energy: -0.558
local terms energy: -175.711004
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -39.023
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -47.619
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: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -534.066899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.066899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480182 (E_RNA)
where:
Base-Base interactions energy: -375.734
where: short stacking energy: -146.191
Base-Backbone interact. energy: 3.914
local terms energy: -162.660227
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -44.154
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -529.750904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.750904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.263843 (E_RNA)
where:
Base-Base interactions energy: -362.631
where: short stacking energy: -152.065
Base-Backbone interact. energy: -0.397
local terms energy: -167.235356
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -43.063
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: 436
Temperature: 1.050000
Total energy: -525.707485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.707485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.199534 (E_RNA)
where:
Base-Base interactions energy: -364.726
where: short stacking energy: -144.074
Base-Backbone interact. energy: -0.846
local terms energy: -160.627658
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -38.932
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: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -515.522791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.522791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.056285 (E_RNA)
where:
Base-Base interactions energy: -351.260
where: short stacking energy: -145.524
Base-Backbone interact. energy: -0.564
local terms energy: -164.232952
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -41.689
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: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -487.177947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.177947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.831640 (E_RNA)
where:
Base-Base interactions energy: -338.330
where: short stacking energy: -137.210
Base-Backbone interact. energy: -2.184
local terms energy: -147.317429
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -41.435
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: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -471.611286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.611286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.708596 (E_RNA)
where:
Base-Base interactions energy: -325.204
where: short stacking energy: -115.932
Base-Backbone interact. energy: -2.434
local terms energy: -145.070788
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -28.718
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 1.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -439.636738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.636738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.237117 (E_RNA)
where:
Base-Base interactions energy: -302.006
where: short stacking energy: -118.536
Base-Backbone interact. energy: -0.774
local terms energy: -138.456910
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -34.419
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -411.416856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.416856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.139224 (E_RNA)
where:
Base-Base interactions energy: -289.750
where: short stacking energy: -98.287
Base-Backbone interact. energy: -0.702
local terms energy: -121.687170
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -22.093
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: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -396.617266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.617266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.477822 (E_RNA)
where:
Base-Base interactions energy: -283.114
where: short stacking energy: -99.272
Base-Backbone interact. energy: -0.640
local terms energy: -113.723581
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -17.027
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: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -561.156839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.156839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.861657 (E_RNA)
where:
Base-Base interactions energy: -388.465
where: short stacking energy: -162.709
Base-Backbone interact. energy: -0.761
local terms energy: -172.635862
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -35.859
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -43.814
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -542.975921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.975921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.210535 (E_RNA)
where:
Base-Base interactions energy: -370.883
where: short stacking energy: -153.691
Base-Backbone interact. energy: -0.756
local terms energy: -171.571096
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -34.165
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -41.142
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: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -521.678864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.678864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.175132 (E_RNA)
where:
Base-Base interactions energy: -356.013
where: short stacking energy: -150.136
Base-Backbone interact. energy: -0.786
local terms energy: -165.376604
where:
bonds (distance) C4'-P energy: -30.841
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -40.400
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -41.706
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: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -524.216112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.216112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.900969 (E_RNA)
where:
Base-Base interactions energy: -360.426
where: short stacking energy: -139.370
Base-Backbone interact. energy: 0.370
local terms energy: -164.844746
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -41.776
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -502.256944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.256944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.915527 (E_RNA)
where:
Base-Base interactions energy: -352.938
where: short stacking energy: -139.521
Base-Backbone interact. energy: -1.012
local terms energy: -148.965450
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -37.193
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: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -480.890003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.890003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.673161 (E_RNA)
where:
Base-Base interactions energy: -334.380
where: short stacking energy: -133.459
Base-Backbone interact. energy: -0.217
local terms energy: -147.076032
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -37.219
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: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -446.802105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.802105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.776704 (E_RNA)
where:
Base-Base interactions energy: -321.207
where: short stacking energy: -118.791
Base-Backbone interact. energy: 0.495
local terms energy: -127.065608
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -25.399
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: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -454.263694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.263694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.436918 (E_RNA)
where:
Base-Base interactions energy: -312.849
where: short stacking energy: -123.361
Base-Backbone interact. energy: 0.057
local terms energy: -141.644827
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -33.596
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: 437
Temperature: 1.300000
Total energy: -415.749512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.749512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.393865 (E_RNA)
where:
Base-Base interactions energy: -294.300
where: short stacking energy: -108.175
Base-Backbone interact. energy: -0.412
local terms energy: -123.682647
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 2.644 (S_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: 437
Temperature: 1.350000
Total energy: -414.922160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.922160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.118344 (E_RNA)
where:
Base-Base interactions energy: -299.078
where: short stacking energy: -110.862
Base-Backbone interact. energy: -1.620
local terms energy: -115.421169
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -545.826591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.826591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.230702 (E_RNA)
where:
Base-Base interactions energy: -370.959
where: short stacking energy: -154.071
Base-Backbone interact. energy: -2.111
local terms energy: -173.160822
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -51.021
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: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -541.613427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.613427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.158042 (E_RNA)
where:
Base-Base interactions energy: -379.737
where: short stacking energy: -149.374
Base-Backbone interact. energy: -1.002
local terms energy: -161.419132
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -40.736
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -533.857464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.857464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.388243 (E_RNA)
where:
Base-Base interactions energy: -372.333
where: short stacking energy: -146.508
Base-Backbone interact. energy: 1.028
local terms energy: -163.082806
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -41.429
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -506.963728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.963728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.331469 (E_RNA)
where:
Base-Base interactions energy: -349.558
where: short stacking energy: -139.371
Base-Backbone interact. energy: -0.986
local terms energy: -156.786952
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -40.823
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: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -493.435205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.435205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.922959 (E_RNA)
where:
Base-Base interactions energy: -332.635
where: short stacking energy: -141.951
Base-Backbone interact. energy: -1.037
local terms energy: -160.250717
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -44.593
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: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -487.794620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.702933 (E_RNA)
where:
Base-Base interactions energy: -332.699
where: short stacking energy: -123.636
Base-Backbone interact. energy: -1.003
local terms energy: -155.000935
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -38.579
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -477.085849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.085849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.404627 (E_RNA)
where:
Base-Base interactions energy: -336.578
where: short stacking energy: -142.051
Base-Backbone interact. energy: -0.769
local terms energy: -140.057795
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -35.950
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: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -431.627385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.627385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.906387 (E_RNA)
where:
Base-Base interactions energy: -310.832
where: short stacking energy: -109.205
Base-Backbone interact. energy: -0.665
local terms energy: -120.409284
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -438.302114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.302114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.058680 (E_RNA)
where:
Base-Base interactions energy: -313.169
where: short stacking energy: -116.838
Base-Backbone interact. energy: 2.511
local terms energy: -128.401330
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -30.825
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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -432.988389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.988389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.579205 (E_RNA)
where:
Base-Base interactions energy: -307.536
where: short stacking energy: -124.490
Base-Backbone interact. energy: -0.106
local terms energy: -126.936567
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -560.312344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.312344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.380683 (E_RNA)
where:
Base-Base interactions energy: -378.772
where: short stacking energy: -158.533
Base-Backbone interact. energy: -0.526
local terms energy: -181.082402
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -47.687
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -539.600430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.600430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.219641 (E_RNA)
where:
Base-Base interactions energy: -370.897
where: short stacking energy: -159.554
Base-Backbone interact. energy: -0.361
local terms energy: -168.961995
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -45.021
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: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -531.095590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.095590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.427114 (E_RNA)
where:
Base-Base interactions energy: -365.731
where: short stacking energy: -144.656
Base-Backbone interact. energy: 1.372
local terms energy: -167.068192
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -44.592
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -509.550414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.550414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.045654 (E_RNA)
where:
Base-Base interactions energy: -344.609
where: short stacking energy: -148.650
Base-Backbone interact. energy: 0.230
local terms energy: -165.666364
where:
bonds (distance) C4'-P energy: -32.624
bonds (distance) P-C4' energy: -37.885
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -40.328
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -497.864882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.003866 (E_RNA)
where:
Base-Base interactions energy: -339.982
where: short stacking energy: -140.766
Base-Backbone interact. energy: -0.015
local terms energy: -159.006905
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -38.012
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -479.140619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.140619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.454263 (E_RNA)
where:
Base-Base interactions energy: -317.399
where: short stacking energy: -123.518
Base-Backbone interact. energy: -0.243
local terms energy: -161.812404
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -34.158
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: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -484.152706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.152706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.684212 (E_RNA)
where:
Base-Base interactions energy: -335.798
where: short stacking energy: -148.926
Base-Backbone interact. energy: 0.378
local terms energy: -150.264412
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -42.793
Dist. restrs. and SS energy: 1.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -457.392307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.392307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.619650 (E_RNA)
where:
Base-Base interactions energy: -313.144
where: short stacking energy: -126.129
Base-Backbone interact. energy: 1.526
local terms energy: -146.001641
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -34.986
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: 439
Temperature: 1.300000
Total energy: -435.231349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.914784 (E_RNA)
where:
Base-Base interactions energy: -304.954
where: short stacking energy: -112.655
Base-Backbone interact. energy: -0.197
local terms energy: -130.763954
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -24.062
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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -414.942032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.942032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.545071 (E_RNA)
where:
Base-Base interactions energy: -296.516
where: short stacking energy: -114.042
Base-Backbone interact. energy: -0.395
local terms energy: -118.633641
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -26.390
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: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -552.484105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.484105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.836776 (E_RNA)
where:
Base-Base interactions energy: -372.466
where: short stacking energy: -156.349
Base-Backbone interact. energy: -0.902
local terms energy: -179.468903
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -32.771
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -49.765
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: 440
Temperature: 0.950000
Total energy: -563.768020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.768020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.426233 (E_RNA)
where:
Base-Base interactions energy: -387.181
where: short stacking energy: -160.298
Base-Backbone interact. energy: 0.434
local terms energy: -177.679152
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -43.219
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: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -533.757916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.757916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.151637 (E_RNA)
where:
Base-Base interactions energy: -368.098
where: short stacking energy: -145.034
Base-Backbone interact. energy: -2.571
local terms energy: -163.482395
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -37.381
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: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -518.672896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.672896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.014177 (E_RNA)
where:
Base-Base interactions energy: -352.359
where: short stacking energy: -147.062
Base-Backbone interact. energy: -0.594
local terms energy: -166.061468
where:
bonds (distance) C4'-P energy: -37.187
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -44.742
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -515.112851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.112851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.436366 (E_RNA)
where:
Base-Base interactions energy: -348.523
where: short stacking energy: -139.987
Base-Backbone interact. energy: -0.529
local terms energy: -166.384729
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -39.131
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -459.559742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.559742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.079255 (E_RNA)
where:
Base-Base interactions energy: -318.031
where: short stacking energy: -131.756
Base-Backbone interact. energy: -0.298
local terms energy: -141.750718
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -36.514
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: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -468.451328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.451328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.070498 (E_RNA)
where:
Base-Base interactions energy: -327.240
where: short stacking energy: -123.221
Base-Backbone interact. energy: -2.047
local terms energy: -139.783616
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -30.274
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: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -463.701809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.677877 (E_RNA)
where:
Base-Base interactions energy: -318.365
where: short stacking energy: -116.291
Base-Backbone interact. energy: -1.219
local terms energy: -145.094089
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -29.322
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -32.149
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: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -450.259623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.259623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.893154 (E_RNA)
where:
Base-Base interactions energy: -311.675
where: short stacking energy: -112.381
Base-Backbone interact. energy: 1.727
local terms energy: -140.945237
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -429.227165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.227165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.714431 (E_RNA)
where:
Base-Base interactions energy: -305.739
where: short stacking energy: -103.643
Base-Backbone interact. energy: -1.244
local terms energy: -122.731397
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -23.242
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: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -556.199707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.199707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.622901 (E_RNA)
where:
Base-Base interactions energy: -381.335
where: short stacking energy: -155.671
Base-Backbone interact. energy: 0.321
local terms energy: -175.608535
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -41.659
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -44.206
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: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -541.576363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.576363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.973679 (E_RNA)
where:
Base-Base interactions energy: -367.496
where: short stacking energy: -145.140
Base-Backbone interact. energy: -0.642
local terms energy: -173.836619
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -43.348
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: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -540.698308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.698308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.261646 (E_RNA)
where:
Base-Base interactions energy: -369.165
where: short stacking energy: -142.631
Base-Backbone interact. energy: -1.114
local terms energy: -171.982596
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -40.396
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -43.578
Dist. restrs. and SS energy: 1.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -514.997840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.997840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.829953 (E_RNA)
where:
Base-Base interactions energy: -355.054
where: short stacking energy: -149.525
Base-Backbone interact. energy: -1.125
local terms energy: -159.651103
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -38.346
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: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -516.066378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.066378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.660569 (E_RNA)
where:
Base-Base interactions energy: -350.717
where: short stacking energy: -134.970
Base-Backbone interact. energy: -0.670
local terms energy: -165.273223
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -41.543
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -485.318403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.318403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.460776 (E_RNA)
where:
Base-Base interactions energy: -334.597
where: short stacking energy: -122.820
Base-Backbone interact. energy: -0.534
local terms energy: -151.330355
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -28.229
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: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -470.403435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.403435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.821990 (E_RNA)
where:
Base-Base interactions energy: -323.798
where: short stacking energy: -134.976
Base-Backbone interact. energy: -0.078
local terms energy: -146.946802
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -34.363
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: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -465.584998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.584998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.295482 (E_RNA)
where:
Base-Base interactions energy: -315.805
where: short stacking energy: -125.092
Base-Backbone interact. energy: -0.810
local terms energy: -149.680211
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: -32.033
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: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -425.712559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.712559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.643658 (E_RNA)
where:
Base-Base interactions energy: -300.799
where: short stacking energy: -110.658
Base-Backbone interact. energy: -0.538
local terms energy: -125.306992
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -417.951857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.951857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.050809 (E_RNA)
where:
Base-Base interactions energy: -279.721
where: short stacking energy: -108.231
Base-Backbone interact. energy: -0.218
local terms energy: -140.111197
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -31.663
Dist. restrs. and SS energy: 2.099 (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: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -540.842731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.842731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.197893 (E_RNA)
where:
Base-Base interactions energy: -369.531
where: short stacking energy: -158.929
Base-Backbone interact. energy: -0.394
local terms energy: -171.272215
where:
bonds (distance) C4'-P energy: -33.836
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -42.871
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -540.363847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.363847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.574581 (E_RNA)
where:
Base-Base interactions energy: -374.000
where: short stacking energy: -155.006
Base-Backbone interact. energy: -0.358
local terms energy: -166.217036
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -33.992
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -43.694
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -527.144096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.341332 (E_RNA)
where:
Base-Base interactions energy: -359.191
where: short stacking energy: -149.011
Base-Backbone interact. energy: -2.372
local terms energy: -165.777672
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -44.543
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: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -513.083051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.083051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.518621 (E_RNA)
where:
Base-Base interactions energy: -359.907
where: short stacking energy: -138.831
Base-Backbone interact. energy: -0.138
local terms energy: -153.473451
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -37.213
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: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -484.250175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.250175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.611262 (E_RNA)
where:
Base-Base interactions energy: -331.758
where: short stacking energy: -127.178
Base-Backbone interact. energy: -0.997
local terms energy: -151.856608
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -30.813
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -499.221994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.221994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.025059 (E_RNA)
where:
Base-Base interactions energy: -344.498
where: short stacking energy: -139.769
Base-Backbone interact. energy: -0.268
local terms energy: -156.258969
where:
bonds (distance) C4'-P energy: -34.391
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -39.751
Dist. restrs. and SS energy: 1.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -466.707206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.707206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.410247 (E_RNA)
where:
Base-Base interactions energy: -319.332
where: short stacking energy: -122.730
Base-Backbone interact. energy: 1.132
local terms energy: -149.210275
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -30.197
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -449.513170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.513170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.382678 (E_RNA)
where:
Base-Base interactions energy: -303.105
where: short stacking energy: -122.863
Base-Backbone interact. energy: -0.365
local terms energy: -146.912887
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -425.120508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.120508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.531118 (E_RNA)
where:
Base-Base interactions energy: -296.707
where: short stacking energy: -114.801
Base-Backbone interact. energy: -0.298
local terms energy: -130.525947
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 2.411 (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: 442
Temperature: 1.350000
Total energy: -426.222967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.222967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.404679 (E_RNA)
where:
Base-Base interactions energy: -304.094
where: short stacking energy: -126.957
Base-Backbone interact. energy: 1.138
local terms energy: -124.448330
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -542.666380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.666380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.173169 (E_RNA)
where:
Base-Base interactions energy: -376.001
where: short stacking energy: -152.861
Base-Backbone interact. energy: -0.247
local terms energy: -166.925445
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -41.368
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -551.086727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.086727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.176601 (E_RNA)
where:
Base-Base interactions energy: -379.958
where: short stacking energy: -146.403
Base-Backbone interact. energy: -1.454
local terms energy: -169.764740
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -42.367
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -518.755892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.755892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.656853 (E_RNA)
where:
Base-Base interactions energy: -358.688
where: short stacking energy: -135.901
Base-Backbone interact. energy: 1.445
local terms energy: -162.413351
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -37.917
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -516.797744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.797744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.296400 (E_RNA)
where:
Base-Base interactions energy: -360.494
where: short stacking energy: -149.028
Base-Backbone interact. energy: -0.549
local terms energy: -156.253054
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -43.050
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: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -479.752472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.973653 (E_RNA)
where:
Base-Base interactions energy: -338.597
where: short stacking energy: -127.901
Base-Backbone interact. energy: -0.503
local terms energy: -140.873690
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -34.158
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -33.749
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -493.502232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.502232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.484995 (E_RNA)
where:
Base-Base interactions energy: -355.758
where: short stacking energy: -140.590
Base-Backbone interact. energy: -0.606
local terms energy: -138.120856
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -37.291
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -468.631277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.631277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.613067 (E_RNA)
where:
Base-Base interactions energy: -322.302
where: short stacking energy: -122.770
Base-Backbone interact. energy: 1.141
local terms energy: -148.452067
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -41.056
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -427.687217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.687217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.115191 (E_RNA)
where:
Base-Base interactions energy: -304.092
where: short stacking energy: -117.944
Base-Backbone interact. energy: -0.169
local terms energy: -124.854042
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -420.724961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.724961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.540904 (E_RNA)
where:
Base-Base interactions energy: -290.242
where: short stacking energy: -116.795
Base-Backbone interact. energy: -0.182
local terms energy: -133.116779
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 2.816 (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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -411.881667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.881667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.021188 (E_RNA)
where:
Base-Base interactions energy: -288.285
where: short stacking energy: -103.499
Base-Backbone interact. energy: -0.424
local terms energy: -124.312448
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -547.082469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.082469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.484894 (E_RNA)
where:
Base-Base interactions energy: -391.218
where: short stacking energy: -145.295
Base-Backbone interact. energy: -1.087
local terms energy: -155.179842
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -39.280
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -544.073075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.073075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.570855 (E_RNA)
where:
Base-Base interactions energy: -373.205
where: short stacking energy: -157.552
Base-Backbone interact. energy: -1.030
local terms energy: -170.335867
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -43.674
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -515.063881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.063881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.881024 (E_RNA)
where:
Base-Base interactions energy: -364.058
where: short stacking energy: -147.954
Base-Backbone interact. energy: 2.006
local terms energy: -153.828981
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -43.555
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: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -524.919850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.919850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.088041 (E_RNA)
where:
Base-Base interactions energy: -361.664
where: short stacking energy: -152.497
Base-Backbone interact. energy: -1.145
local terms energy: -163.278483
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -42.985
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: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -505.237005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.237005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.818121 (E_RNA)
where:
Base-Base interactions energy: -357.059
where: short stacking energy: -143.937
Base-Backbone interact. energy: -0.582
local terms energy: -148.177178
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -39.636
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: 444
Temperature: 1.150000
Total energy: -469.167140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.167140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.303516 (E_RNA)
where:
Base-Base interactions energy: -327.001
where: short stacking energy: -126.043
Base-Backbone interact. energy: -0.578
local terms energy: -141.724439
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -34.538
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: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -468.942551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.942551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.677617 (E_RNA)
where:
Base-Base interactions energy: -328.168
where: short stacking energy: -130.910
Base-Backbone interact. energy: -0.724
local terms energy: -140.785683
where:
bonds (distance) C4'-P energy: -33.911
bonds (distance) P-C4' energy: -31.635
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -30.020
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: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -447.633585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.633585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.759346 (E_RNA)
where:
Base-Base interactions energy: -313.655
where: short stacking energy: -124.902
Base-Backbone interact. energy: 0.810
local terms energy: -135.913960
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -26.788
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -32.616
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -450.423266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.423266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.631253 (E_RNA)
where:
Base-Base interactions energy: -306.441
where: short stacking energy: -131.828
Base-Backbone interact. energy: 0.791
local terms energy: -145.980821
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -33.780
Dist. restrs. and SS energy: 1.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -423.661747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.661747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.615155 (E_RNA)
where:
Base-Base interactions energy: -303.475
where: short stacking energy: -114.388
Base-Backbone interact. energy: 0.892
local terms energy: -123.032047
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 1.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -555.506174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.506174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.540963 (E_RNA)
where:
Base-Base interactions energy: -385.322
where: short stacking energy: -155.499
Base-Backbone interact. energy: -2.210
local terms energy: -168.009557
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -44.637
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: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -521.961432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.961432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.832982 (E_RNA)
where:
Base-Base interactions energy: -348.160
where: short stacking energy: -146.427
Base-Backbone interact. energy: -3.037
local terms energy: -171.635532
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -535.361924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.361924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.413928 (E_RNA)
where:
Base-Base interactions energy: -368.310
where: short stacking energy: -148.720
Base-Backbone interact. energy: -1.402
local terms energy: -165.701786
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -518.052543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.052543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.658774 (E_RNA)
where:
Base-Base interactions energy: -356.876
where: short stacking energy: -140.981
Base-Backbone interact. energy: 0.557
local terms energy: -163.339714
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -41.207
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -500.767937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.767937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.727541 (E_RNA)
where:
Base-Base interactions energy: -349.580
where: short stacking energy: -140.600
Base-Backbone interact. energy: -1.706
local terms energy: -150.442103
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -30.870
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -41.007
Dist. restrs. and SS energy: 0.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -451.452412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.452412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.585992 (E_RNA)
where:
Base-Base interactions energy: -321.581
where: short stacking energy: -128.183
Base-Backbone interact. energy: -0.451
local terms energy: -129.554375
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -27.523
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -448.963041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.963041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.258645 (E_RNA)
where:
Base-Base interactions energy: -305.105
where: short stacking energy: -114.594
Base-Backbone interact. energy: -1.120
local terms energy: -143.033981
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -28.944
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: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -471.214620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.214620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.747230 (E_RNA)
where:
Base-Base interactions energy: -323.718
where: short stacking energy: -133.538
Base-Backbone interact. energy: -1.733
local terms energy: -146.296505
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -34.140
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: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -439.229506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.229506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.017253 (E_RNA)
where:
Base-Base interactions energy: -311.161
where: short stacking energy: -127.803
Base-Backbone interact. energy: -0.587
local terms energy: -128.269384
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -31.327
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: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -408.351433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.351433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.438879 (E_RNA)
where:
Base-Base interactions energy: -283.313
where: short stacking energy: -113.248
Base-Backbone interact. energy: -2.348
local terms energy: -125.777529
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -31.167
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -549.972327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.972327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.133776 (E_RNA)
where:
Base-Base interactions energy: -382.489
where: short stacking energy: -147.751
Base-Backbone interact. energy: -1.387
local terms energy: -166.257684
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -44.716
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -535.791341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.791341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.545391 (E_RNA)
where:
Base-Base interactions energy: -371.478
where: short stacking energy: -145.602
Base-Backbone interact. energy: 0.351
local terms energy: -165.418515
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -47.508
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -524.566284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.566284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.955322 (E_RNA)
where:
Base-Base interactions energy: -356.651
where: short stacking energy: -136.862
Base-Backbone interact. energy: -0.222
local terms energy: -168.082514
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -37.704
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: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -514.112052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.112052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.596254 (E_RNA)
where:
Base-Base interactions energy: -342.740
where: short stacking energy: -131.298
Base-Backbone interact. energy: -1.199
local terms energy: -170.656755
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -43.236
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -516.675238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.675238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.360224 (E_RNA)
where:
Base-Base interactions energy: -366.884
where: short stacking energy: -137.666
Base-Backbone interact. energy: -0.671
local terms energy: -149.804822
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -475.593948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.593948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.372759 (E_RNA)
where:
Base-Base interactions energy: -334.145
where: short stacking energy: -124.112
Base-Backbone interact. energy: -1.967
local terms energy: -140.261450
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -32.074
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -499.840293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.840293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.449539 (E_RNA)
where:
Base-Base interactions energy: -347.685
where: short stacking energy: -136.458
Base-Backbone interact. energy: -0.226
local terms energy: -152.538585
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -34.151
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: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -442.616664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.616664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.813390 (E_RNA)
where:
Base-Base interactions energy: -307.724
where: short stacking energy: -130.583
Base-Backbone interact. energy: -0.862
local terms energy: -134.227404
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -31.321
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: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -441.376391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.376391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.020432 (E_RNA)
where:
Base-Base interactions energy: -297.426
where: short stacking energy: -125.186
Base-Backbone interact. energy: -0.942
local terms energy: -144.652641
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -32.294
Dist. restrs. and SS energy: 1.644 (S_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: 446
Temperature: 1.350000
Total energy: -411.360594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.360594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.810870 (E_RNA)
where:
Base-Base interactions energy: -301.229
where: short stacking energy: -117.331
Base-Backbone interact. energy: -0.348
local terms energy: -117.234163
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 7.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -553.994222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.994222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.133034 (E_RNA)
where:
Base-Base interactions energy: -376.952
where: short stacking energy: -150.414
Base-Backbone interact. energy: -0.329
local terms energy: -176.852250
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -44.349
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: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -540.320259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.320259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.615491 (E_RNA)
where:
Base-Base interactions energy: -378.807
where: short stacking energy: -150.975
Base-Backbone interact. energy: -1.059
local terms energy: -160.749720
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -37.900
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: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -511.420421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.420421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.015207 (E_RNA)
where:
Base-Base interactions energy: -353.868
where: short stacking energy: -143.480
Base-Backbone interact. energy: 0.144
local terms energy: -158.291747
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -43.316
Dist. restrs. and SS energy: 0.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -520.146081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.146081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.027646 (E_RNA)
where:
Base-Base interactions energy: -361.247
where: short stacking energy: -144.134
Base-Backbone interact. energy: -0.931
local terms energy: -159.849189
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -483.735284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.735284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.151109 (E_RNA)
where:
Base-Base interactions energy: -335.368
where: short stacking energy: -129.874
Base-Backbone interact. energy: 0.481
local terms energy: -149.264131
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -35.734
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -482.809284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.809284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.113588 (E_RNA)
where:
Base-Base interactions energy: -337.719
where: short stacking energy: -135.099
Base-Backbone interact. energy: 1.315
local terms energy: -146.709709
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -34.657
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: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -460.598438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.598438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.317490 (E_RNA)
where:
Base-Base interactions energy: -327.920
where: short stacking energy: -116.431
Base-Backbone interact. energy: -1.868
local terms energy: -131.528946
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -33.448
Dist. restrs. and SS energy: 0.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -446.646426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.646426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.289634 (E_RNA)
where:
Base-Base interactions energy: -311.390
where: short stacking energy: -113.129
Base-Backbone interact. energy: -0.099
local terms energy: -136.801074
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -32.379
Dist. restrs. and SS energy: 1.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -433.595422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.595422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.237814 (E_RNA)
where:
Base-Base interactions energy: -300.181
where: short stacking energy: -117.227
Base-Backbone interact. energy: -0.705
local terms energy: -133.351855
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -34.719
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: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -394.601512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.601512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.701420 (E_RNA)
where:
Base-Base interactions energy: -275.408
where: short stacking energy: -104.358
Base-Backbone interact. energy: -0.587
local terms energy: -123.707076
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 5.100 (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: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -542.201161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.201161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.373756 (E_RNA)
where:
Base-Base interactions energy: -373.487
where: short stacking energy: -155.600
Base-Backbone interact. energy: 0.327
local terms energy: -169.213896
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -40.763
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: 448
Temperature: 0.950000
Total energy: -548.748050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.748050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.948620 (E_RNA)
where:
Base-Base interactions energy: -366.388
where: short stacking energy: -145.952
Base-Backbone interact. energy: -1.053
local terms energy: -181.507087
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -509.354752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.354752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.412004 (E_RNA)
where:
Base-Base interactions energy: -347.369
where: short stacking energy: -142.520
Base-Backbone interact. energy: -0.332
local terms energy: -161.711268
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -43.679
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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -521.042223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.042223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.249470 (E_RNA)
where:
Base-Base interactions energy: -363.082
where: short stacking energy: -141.828
Base-Backbone interact. energy: 0.274
local terms energy: -159.441182
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -39.322
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -40.791
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -488.427098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.427098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.998959 (E_RNA)
where:
Base-Base interactions energy: -336.486
where: short stacking energy: -130.722
Base-Backbone interact. energy: 0.667
local terms energy: -153.180231
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -35.900
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -486.931512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.931512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.201786 (E_RNA)
where:
Base-Base interactions energy: -339.734
where: short stacking energy: -137.934
Base-Backbone interact. energy: -1.232
local terms energy: -146.235475
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -36.342
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -466.396764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.396764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.309084 (E_RNA)
where:
Base-Base interactions energy: -321.161
where: short stacking energy: -121.102
Base-Backbone interact. energy: -0.565
local terms energy: -145.582364
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -29.885
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: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -447.897330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.897330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.341615 (E_RNA)
where:
Base-Base interactions energy: -312.534
where: short stacking energy: -111.068
Base-Backbone interact. energy: -1.446
local terms energy: -134.361107
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -27.828
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: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -424.237832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.237832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.241345 (E_RNA)
where:
Base-Base interactions energy: -294.873
where: short stacking energy: -94.648
Base-Backbone interact. energy: 0.344
local terms energy: -130.712132
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -25.126
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: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -414.318957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.318957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.854731 (E_RNA)
where:
Base-Base interactions energy: -281.598
where: short stacking energy: -95.775
Base-Backbone interact. energy: -0.281
local terms energy: -132.975469
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -27.521
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: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -548.035045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.035045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.805635 (E_RNA)
where:
Base-Base interactions energy: -376.616
where: short stacking energy: -154.676
Base-Backbone interact. energy: -2.379
local terms energy: -169.810078
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -39.918
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -537.737758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.737758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.196047 (E_RNA)
where:
Base-Base interactions energy: -364.080
where: short stacking energy: -150.122
Base-Backbone interact. energy: -1.181
local terms energy: -172.935032
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -45.642
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: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -499.139493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.139493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.426907 (E_RNA)
where:
Base-Base interactions energy: -338.613
where: short stacking energy: -144.677
Base-Backbone interact. energy: -2.553
local terms energy: -158.260534
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -37.580
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -39.591
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -506.326269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.326269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.583048 (E_RNA)
where:
Base-Base interactions energy: -355.218
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.819
local terms energy: -150.545201
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -38.440
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -501.817872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.817872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.552682 (E_RNA)
where:
Base-Base interactions energy: -351.643
where: short stacking energy: -135.977
Base-Backbone interact. energy: 0.595
local terms energy: -152.504711
where:
bonds (distance) C4'-P energy: -28.546
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -39.735
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -489.158137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.158137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.704068 (E_RNA)
where:
Base-Base interactions energy: -342.835
where: short stacking energy: -139.949
Base-Backbone interact. energy: -0.585
local terms energy: -146.283967
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -35.197
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -37.271
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: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -472.171385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.171385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.625947 (E_RNA)
where:
Base-Base interactions energy: -318.399
where: short stacking energy: -128.985
Base-Backbone interact. energy: 0.730
local terms energy: -155.957312
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -441.699829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.699829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.472645 (E_RNA)
where:
Base-Base interactions energy: -311.540
where: short stacking energy: -125.669
Base-Backbone interact. energy: -1.281
local terms energy: -129.651070
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -32.930
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: 449
Temperature: 1.300000
Total energy: -459.884470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.884470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.577943 (E_RNA)
where:
Base-Base interactions energy: -323.406
where: short stacking energy: -124.600
Base-Backbone interact. energy: -0.989
local terms energy: -136.182945
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -32.481
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: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -420.477072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.477072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.796113 (E_RNA)
where:
Base-Base interactions energy: -297.115
where: short stacking energy: -112.856
Base-Backbone interact. energy: -0.577
local terms energy: -123.104232
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -28.307
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -556.127899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.127899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.490600 (E_RNA)
where:
Base-Base interactions energy: -380.285
where: short stacking energy: -161.660
Base-Backbone interact. energy: 0.572
local terms energy: -176.777430
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -36.930
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -44.441
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: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -519.839724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.839724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.237473 (E_RNA)
where:
Base-Base interactions energy: -353.928
where: short stacking energy: -143.454
Base-Backbone interact. energy: -0.264
local terms energy: -166.045031
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -44.386
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: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -514.742174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.742174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.933940 (E_RNA)
where:
Base-Base interactions energy: -354.285
where: short stacking energy: -144.303
Base-Backbone interact. energy: -1.920
local terms energy: -158.728974
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -40.100
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -483.215021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.215021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.259893 (E_RNA)
where:
Base-Base interactions energy: -329.321
where: short stacking energy: -127.456
Base-Backbone interact. energy: -0.526
local terms energy: -155.412468
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -37.757
Dist. restrs. and SS energy: 2.045 (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: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -475.403697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.403697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.818367 (E_RNA)
where:
Base-Base interactions energy: -327.453
where: short stacking energy: -129.403
Base-Backbone interact. energy: -1.294
local terms energy: -147.071710
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -41.327
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -500.966439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.966439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.177120 (E_RNA)
where:
Base-Base interactions energy: -342.634
where: short stacking energy: -120.189
Base-Backbone interact. energy: -0.743
local terms energy: -157.800403
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -38.890
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: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -480.392431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.392431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.881746 (E_RNA)
where:
Base-Base interactions energy: -339.368
where: short stacking energy: -141.555
Base-Backbone interact. energy: -0.120
local terms energy: -142.393712
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -449.991658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.991658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.933729 (E_RNA)
where:
Base-Base interactions energy: -311.919
where: short stacking energy: -121.290
Base-Backbone interact. energy: -1.468
local terms energy: -137.546318
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -28.973
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: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -415.245288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.245288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.802194 (E_RNA)
where:
Base-Base interactions energy: -277.569
where: short stacking energy: -93.464
Base-Backbone interact. energy: -0.712
local terms energy: -137.521111
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -19.785
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -424.432038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.432038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.659251 (E_RNA)
where:
Base-Base interactions energy: -297.252
where: short stacking energy: -112.101
Base-Backbone interact. energy: -1.155
local terms energy: -126.252210
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -26.759
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: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -546.665109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.665109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.986792 (E_RNA)
where:
Base-Base interactions energy: -383.107
where: short stacking energy: -157.503
Base-Backbone interact. energy: 1.732
local terms energy: -165.612086
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -51.062
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: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -543.416136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.416136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.647273 (E_RNA)
where:
Base-Base interactions energy: -386.020
where: short stacking energy: -162.166
Base-Backbone interact. energy: -0.302
local terms energy: -157.325570
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -42.951
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -518.180677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.180677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.489797 (E_RNA)
where:
Base-Base interactions energy: -357.840
where: short stacking energy: -140.008
Base-Backbone interact. energy: -0.504
local terms energy: -160.146215
where:
bonds (distance) C4'-P energy: -38.168
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -37.741
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: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -504.909859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.909859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.229521 (E_RNA)
where:
Base-Base interactions energy: -344.015
where: short stacking energy: -137.073
Base-Backbone interact. energy: -1.188
local terms energy: -160.026571
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -38.818
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -485.887253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.887253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.513750 (E_RNA)
where:
Base-Base interactions energy: -339.021
where: short stacking energy: -134.616
Base-Backbone interact. energy: -0.044
local terms energy: -148.449409
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -39.961
Dist. restrs. and SS energy: 1.626 (S_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: 451
Temperature: 1.150000
Total energy: -491.433898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.433898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.303652 (E_RNA)
where:
Base-Base interactions energy: -339.865
where: short stacking energy: -140.962
Base-Backbone interact. energy: -1.614
local terms energy: -150.825114
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -38.448
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: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -463.446161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.446161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.660665 (E_RNA)
where:
Base-Base interactions energy: -320.963
where: short stacking energy: -134.246
Base-Backbone interact. energy: 2.863
local terms energy: -146.560349
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -36.832
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -448.576507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.576507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.360264 (E_RNA)
where:
Base-Base interactions energy: -316.952
where: short stacking energy: -121.567
Base-Backbone interact. energy: -0.920
local terms energy: -131.488484
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -32.951
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: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -418.394113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.394113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.961645 (E_RNA)
where:
Base-Base interactions energy: -282.246
where: short stacking energy: -114.148
Base-Backbone interact. energy: -0.995
local terms energy: -135.720788
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -35.652
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: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -412.147350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.147350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.873991 (E_RNA)
where:
Base-Base interactions energy: -284.620
where: short stacking energy: -105.207
Base-Backbone interact. energy: 0.094
local terms energy: -128.347867
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -547.072980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.072980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.337735 (E_RNA)
where:
Base-Base interactions energy: -377.440
where: short stacking energy: -160.996
Base-Backbone interact. energy: -0.524
local terms energy: -169.374191
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -37.536
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -533.268326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.268326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.628973 (E_RNA)
where:
Base-Base interactions energy: -367.689
where: short stacking energy: -150.475
Base-Backbone interact. energy: -1.009
local terms energy: -164.931225
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -44.843
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -519.530534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.530534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.937585 (E_RNA)
where:
Base-Base interactions energy: -351.146
where: short stacking energy: -146.351
Base-Backbone interact. energy: -0.585
local terms energy: -168.206881
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -43.840
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: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -516.635203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.635203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.884819 (E_RNA)
where:
Base-Base interactions energy: -353.628
where: short stacking energy: -146.645
Base-Backbone interact. energy: -0.662
local terms energy: -162.595237
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -36.653
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -503.284856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.284856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.879886 (E_RNA)
where:
Base-Base interactions energy: -346.581
where: short stacking energy: -133.675
Base-Backbone interact. energy: -1.200
local terms energy: -156.099298
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -38.718
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -454.051547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.051547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.423621 (E_RNA)
where:
Base-Base interactions energy: -319.258
where: short stacking energy: -130.442
Base-Backbone interact. energy: 0.472
local terms energy: -136.637280
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 1.372 (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: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -474.231031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.231031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.710286 (E_RNA)
where:
Base-Base interactions energy: -326.678
where: short stacking energy: -131.743
Base-Backbone interact. energy: -0.919
local terms energy: -147.112502
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -35.678
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: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -451.373648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.373648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.768174 (E_RNA)
where:
Base-Base interactions energy: -312.338
where: short stacking energy: -130.629
Base-Backbone interact. energy: -0.018
local terms energy: -139.412476
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -33.479
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: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -438.493063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.493063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.011796 (E_RNA)
where:
Base-Base interactions energy: -299.037
where: short stacking energy: -124.728
Base-Backbone interact. energy: -1.045
local terms energy: -138.929714
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -29.548
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: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -428.169471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.169471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.732110 (E_RNA)
where:
Base-Base interactions energy: -300.380
where: short stacking energy: -114.596
Base-Backbone interact. energy: 0.126
local terms energy: -128.478186
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -32.116
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -536.225665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.225665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.678492 (E_RNA)
where:
Base-Base interactions energy: -373.453
where: short stacking energy: -149.732
Base-Backbone interact. energy: -0.538
local terms energy: -162.687049
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -45.641
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: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -527.975745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.975745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.400309 (E_RNA)
where:
Base-Base interactions energy: -370.022
where: short stacking energy: -143.781
Base-Backbone interact. energy: -0.895
local terms energy: -157.483722
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -42.967
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -539.355475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.355475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.659250 (E_RNA)
where:
Base-Base interactions energy: -363.341
where: short stacking energy: -156.507
Base-Backbone interact. energy: 0.648
local terms energy: -176.966186
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -48.749
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -524.411191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.411191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.196482 (E_RNA)
where:
Base-Base interactions energy: -355.198
where: short stacking energy: -152.258
Base-Backbone interact. energy: -1.024
local terms energy: -168.974624
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -44.961
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: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -497.373187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.373187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.991990 (E_RNA)
where:
Base-Base interactions energy: -346.215
where: short stacking energy: -132.585
Base-Backbone interact. energy: 1.069
local terms energy: -152.846405
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -40.868
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -495.088976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.088976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.724369 (E_RNA)
where:
Base-Base interactions energy: -338.395
where: short stacking energy: -136.144
Base-Backbone interact. energy: 2.573
local terms energy: -159.902666
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -41.805
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: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -448.715200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.715200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.474544 (E_RNA)
where:
Base-Base interactions energy: -313.403
where: short stacking energy: -129.560
Base-Backbone interact. energy: -2.330
local terms energy: -135.741355
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -30.555
Dist. restrs. and SS energy: 2.759 (S_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: 453
Temperature: 1.250000
Total energy: -445.439157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.439157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.322902 (E_RNA)
where:
Base-Base interactions energy: -298.591
where: short stacking energy: -121.221
Base-Backbone interact. energy: -0.633
local terms energy: -147.099226
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -424.197042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.197042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.402141 (E_RNA)
where:
Base-Base interactions energy: -297.188
where: short stacking energy: -115.787
Base-Backbone interact. energy: -0.181
local terms energy: -128.033715
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 1.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -421.586751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.586751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.245149 (E_RNA)
where:
Base-Base interactions energy: -299.627
where: short stacking energy: -113.213
Base-Backbone interact. energy: -1.375
local terms energy: -121.243759
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -32.574
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -545.937925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.937925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.434394 (E_RNA)
where:
Base-Base interactions energy: -375.713
where: short stacking energy: -158.936
Base-Backbone interact. energy: 0.705
local terms energy: -171.426063
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -43.571
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: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -533.144179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.144179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.736141 (E_RNA)
where:
Base-Base interactions energy: -369.524
where: short stacking energy: -147.913
Base-Backbone interact. energy: -0.531
local terms energy: -163.681968
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -42.221
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: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -523.623101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.623101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.651117 (E_RNA)
where:
Base-Base interactions energy: -358.948
where: short stacking energy: -143.166
Base-Backbone interact. energy: -0.994
local terms energy: -164.709315
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -41.830
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -511.717902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.717902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.319938 (E_RNA)
where:
Base-Base interactions energy: -361.252
where: short stacking energy: -144.364
Base-Backbone interact. energy: -0.295
local terms energy: -150.772752
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -41.660
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: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -507.208820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.680092 (E_RNA)
where:
Base-Base interactions energy: -332.482
where: short stacking energy: -129.394
Base-Backbone interact. energy: -1.314
local terms energy: -173.884678
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -37.739
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -463.241296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.241296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.599251 (E_RNA)
where:
Base-Base interactions energy: -326.330
where: short stacking energy: -136.033
Base-Backbone interact. energy: -0.339
local terms energy: -136.930805
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -34.759
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: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -451.898564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.898564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.053199 (E_RNA)
where:
Base-Base interactions energy: -322.118
where: short stacking energy: -117.242
Base-Backbone interact. energy: 2.136
local terms energy: -132.070531
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -34.896
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: 454
Temperature: 1.250000
Total energy: -460.088591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.088591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.621137 (E_RNA)
where:
Base-Base interactions energy: -313.437
where: short stacking energy: -120.821
Base-Backbone interact. energy: -0.478
local terms energy: -146.705691
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -38.740
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: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -435.227810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.227810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.810777 (E_RNA)
where:
Base-Base interactions energy: -299.792
where: short stacking energy: -120.586
Base-Backbone interact. energy: -0.885
local terms energy: -135.133931
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -33.515
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -426.375005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.739550 (E_RNA)
where:
Base-Base interactions energy: -302.410
where: short stacking energy: -117.007
Base-Backbone interact. energy: 0.220
local terms energy: -124.549219
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -30.194
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -550.089081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.089081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.481946 (E_RNA)
where:
Base-Base interactions energy: -370.344
where: short stacking energy: -164.938
Base-Backbone interact. energy: 0.028
local terms energy: -180.166175
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -46.886
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: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -531.953590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.953590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.093012 (E_RNA)
where:
Base-Base interactions energy: -360.189
where: short stacking energy: -149.571
Base-Backbone interact. energy: -1.240
local terms energy: -170.663757
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -33.883
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -45.269
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -525.140300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.140300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.752952 (E_RNA)
where:
Base-Base interactions energy: -372.168
where: short stacking energy: -151.516
Base-Backbone interact. energy: -0.493
local terms energy: -153.092018
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -33.517
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -519.563008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.563008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.121255 (E_RNA)
where:
Base-Base interactions energy: -362.383
where: short stacking energy: -147.610
Base-Backbone interact. energy: -1.530
local terms energy: -156.207771
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -41.179
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: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -499.883183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.132046 (E_RNA)
where:
Base-Base interactions energy: -338.355
where: short stacking energy: -143.263
Base-Backbone interact. energy: -1.520
local terms energy: -161.257154
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -39.860
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: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -462.447295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.447295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.748411 (E_RNA)
where:
Base-Base interactions energy: -328.075
where: short stacking energy: -120.782
Base-Backbone interact. energy: -0.653
local terms energy: -134.019963
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -32.154
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: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -480.111591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.111591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.109167 (E_RNA)
where:
Base-Base interactions energy: -330.363
where: short stacking energy: -135.670
Base-Backbone interact. energy: 3.449
local terms energy: -154.195307
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -33.973
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -35.455
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: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -440.887309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.887309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.318553 (E_RNA)
where:
Base-Base interactions energy: -307.682
where: short stacking energy: -116.138
Base-Backbone interact. energy: -1.215
local terms energy: -132.422180
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -24.207
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: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -436.250323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.250323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.273014 (E_RNA)
where:
Base-Base interactions energy: -301.255
where: short stacking energy: -118.793
Base-Backbone interact. energy: 0.113
local terms energy: -136.131526
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -33.927
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: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -423.200456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.200456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.775708 (E_RNA)
where:
Base-Base interactions energy: -298.813
where: short stacking energy: -109.148
Base-Backbone interact. energy: -0.136
local terms energy: -124.827257
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -27.021
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: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -555.244863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.244863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.571460 (E_RNA)
where:
Base-Base interactions energy: -386.919
where: short stacking energy: -160.306
Base-Backbone interact. energy: -0.671
local terms energy: -167.980914
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -43.009
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: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -537.642438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.642438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.302502 (E_RNA)
where:
Base-Base interactions energy: -371.877
where: short stacking energy: -166.315
Base-Backbone interact. energy: -0.526
local terms energy: -165.899511
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -521.994942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.994942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.100660 (E_RNA)
where:
Base-Base interactions energy: -359.021
where: short stacking energy: -146.335
Base-Backbone interact. energy: 0.524
local terms energy: -163.603599
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -40.053
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: 456
Temperature: 1.050000
Total energy: -513.308372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.308372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.499403 (E_RNA)
where:
Base-Base interactions energy: -361.543
where: short stacking energy: -149.909
Base-Backbone interact. energy: -0.048
local terms energy: -151.908479
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -42.777
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -486.232107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.232107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.606635 (E_RNA)
where:
Base-Base interactions energy: -343.149
where: short stacking energy: -127.340
Base-Backbone interact. energy: -1.494
local terms energy: -141.963792
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -37.840
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: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -469.242640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.242640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.555750 (E_RNA)
where:
Base-Base interactions energy: -319.087
where: short stacking energy: -130.168
Base-Backbone interact. energy: 1.244
local terms energy: -151.713253
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -33.822
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: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -470.387286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.387286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.032490 (E_RNA)
where:
Base-Base interactions energy: -329.536
where: short stacking energy: -120.190
Base-Backbone interact. energy: -0.911
local terms energy: -141.585814
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -452.459101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.459101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.882617 (E_RNA)
where:
Base-Base interactions energy: -318.436
where: short stacking energy: -118.511
Base-Backbone interact. energy: 1.559
local terms energy: -136.005313
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -31.503
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: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -422.130976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.130976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.830180 (E_RNA)
where:
Base-Base interactions energy: -293.858
where: short stacking energy: -105.693
Base-Backbone interact. energy: -0.623
local terms energy: -128.348898
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -28.759
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -414.930277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.930277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.691692 (E_RNA)
where:
Base-Base interactions energy: -288.356
where: short stacking energy: -110.693
Base-Backbone interact. energy: 0.375
local terms energy: -130.711211
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -29.770
Dist. restrs. and SS energy: 3.761 (S_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: 457
Temperature: 0.900000
Total energy: -551.423711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.423711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.710549 (E_RNA)
where:
Base-Base interactions energy: -377.042
where: short stacking energy: -153.874
Base-Backbone interact. energy: -0.197
local terms energy: -174.471871
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -37.610
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -41.640
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -528.478634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.478634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.881033 (E_RNA)
where:
Base-Base interactions energy: -360.997
where: short stacking energy: -159.638
Base-Backbone interact. energy: -0.670
local terms energy: -167.214060
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -43.116
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -536.982151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.982151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.297087 (E_RNA)
where:
Base-Base interactions energy: -367.924
where: short stacking energy: -143.641
Base-Backbone interact. energy: -1.978
local terms energy: -167.395696
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -46.194
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: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -515.839222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.839222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.486806 (E_RNA)
where:
Base-Base interactions energy: -359.276
where: short stacking energy: -141.231
Base-Backbone interact. energy: 1.090
local terms energy: -158.300603
where:
bonds (distance) C4'-P energy: -28.897
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -38.258
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: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -510.263832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.263832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.681355 (E_RNA)
where:
Base-Base interactions energy: -351.981
where: short stacking energy: -144.152
Base-Backbone interact. energy: -1.232
local terms energy: -157.468318
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -42.569
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: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -458.710915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.710915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.787869 (E_RNA)
where:
Base-Base interactions energy: -315.537
where: short stacking energy: -115.408
Base-Backbone interact. energy: 0.545
local terms energy: -143.796003
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -28.534
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: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -486.804418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.804418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.299762 (E_RNA)
where:
Base-Base interactions energy: -343.775
where: short stacking energy: -135.036
Base-Backbone interact. energy: -0.504
local terms energy: -143.020726
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -38.555
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: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -438.057987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.057987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.171865 (E_RNA)
where:
Base-Base interactions energy: -299.763
where: short stacking energy: -115.943
Base-Backbone interact. energy: 1.732
local terms energy: -140.140576
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -29.139
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: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -467.717307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.717307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.974919 (E_RNA)
where:
Base-Base interactions energy: -325.428
where: short stacking energy: -126.112
Base-Backbone interact. energy: -0.814
local terms energy: -141.732575
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -33.658
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -412.018201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.018201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.266494 (E_RNA)
where:
Base-Base interactions energy: -277.909
where: short stacking energy: -106.286
Base-Backbone interact. energy: -1.326
local terms energy: -136.031460
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -32.491
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -546.986001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.986001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.054380 (E_RNA)
where:
Base-Base interactions energy: -384.971
where: short stacking energy: -165.902
Base-Backbone interact. energy: -0.167
local terms energy: -161.917207
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -41.096
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: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -521.444701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.444701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.873090 (E_RNA)
where:
Base-Base interactions energy: -360.030
where: short stacking energy: -152.663
Base-Backbone interact. energy: -0.610
local terms energy: -161.232961
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -44.480
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: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -543.243072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.243072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.447159 (E_RNA)
where:
Base-Base interactions energy: -383.152
where: short stacking energy: -149.786
Base-Backbone interact. energy: -0.897
local terms energy: -159.398264
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -41.995
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: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -513.703109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.703109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.304221 (E_RNA)
where:
Base-Base interactions energy: -350.072
where: short stacking energy: -140.059
Base-Backbone interact. energy: 0.114
local terms energy: -164.346722
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -490.980631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.980631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.213659 (E_RNA)
where:
Base-Base interactions energy: -336.388
where: short stacking energy: -136.844
Base-Backbone interact. energy: -0.593
local terms energy: -154.232425
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -38.703
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -33.868
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: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -462.676359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.676359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.526961 (E_RNA)
where:
Base-Base interactions energy: -319.390
where: short stacking energy: -125.917
Base-Backbone interact. energy: -1.580
local terms energy: -142.557153
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -29.207
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: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -484.783535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.783535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.762767 (E_RNA)
where:
Base-Base interactions energy: -343.933
where: short stacking energy: -140.833
Base-Backbone interact. energy: 0.537
local terms energy: -142.366957
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -437.278494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.278494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.650696 (E_RNA)
where:
Base-Base interactions energy: -295.848
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.010
local terms energy: -141.792091
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -30.343
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: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -420.815343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.815343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.634475 (E_RNA)
where:
Base-Base interactions energy: -284.985
where: short stacking energy: -103.786
Base-Backbone interact. energy: -0.346
local terms energy: -136.303831
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -417.404670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.404670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.953644 (E_RNA)
where:
Base-Base interactions energy: -293.318
where: short stacking energy: -108.501
Base-Backbone interact. energy: -0.310
local terms energy: -124.326167
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -28.449
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: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -545.104007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.104007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.243202 (E_RNA)
where:
Base-Base interactions energy: -372.647
where: short stacking energy: -140.619
Base-Backbone interact. energy: -0.430
local terms energy: -172.165837
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -40.397
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: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -549.260304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.260304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.346551 (E_RNA)
where:
Base-Base interactions energy: -390.805
where: short stacking energy: -145.531
Base-Backbone interact. energy: -0.626
local terms energy: -157.915463
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -46.797
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: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -529.115860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.115860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.449145 (E_RNA)
where:
Base-Base interactions energy: -366.668
where: short stacking energy: -148.196
Base-Backbone interact. energy: -0.437
local terms energy: -162.344351
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -44.797
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -494.507121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.507121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.908085 (E_RNA)
where:
Base-Base interactions energy: -332.661
where: short stacking energy: -143.193
Base-Backbone interact. energy: -0.394
local terms energy: -161.852774
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -39.429
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: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -499.798948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.798948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.453266 (E_RNA)
where:
Base-Base interactions energy: -340.615
where: short stacking energy: -128.650
Base-Backbone interact. energy: -0.034
local terms energy: -159.803954
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -39.238
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: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -455.766909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.766909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.010510 (E_RNA)
where:
Base-Base interactions energy: -314.701
where: short stacking energy: -120.624
Base-Backbone interact. energy: -0.272
local terms energy: -141.036962
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -38.706
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -29.175
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -466.537417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.537417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.816053 (E_RNA)
where:
Base-Base interactions energy: -332.631
where: short stacking energy: -143.161
Base-Backbone interact. energy: 3.850
local terms energy: -138.035098
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -32.101
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: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -444.130026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.130026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.337846 (E_RNA)
where:
Base-Base interactions energy: -319.643
where: short stacking energy: -122.732
Base-Backbone interact. energy: -0.076
local terms energy: -124.618173
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -36.210
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: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -438.463713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.463713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.958537 (E_RNA)
where:
Base-Base interactions energy: -298.896
where: short stacking energy: -116.650
Base-Backbone interact. energy: -0.464
local terms energy: -139.598080
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -33.131
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: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -424.140240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.140240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.648086 (E_RNA)
where:
Base-Base interactions energy: -299.471
where: short stacking energy: -111.697
Base-Backbone interact. energy: -0.279
local terms energy: -124.898077
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -27.623
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: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -550.601900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.601900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.964684 (E_RNA)
where:
Base-Base interactions energy: -402.576
where: short stacking energy: -153.414
Base-Backbone interact. energy: -0.614
local terms energy: -147.775259
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -40.329
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: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -542.489234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.489234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.241919 (E_RNA)
where:
Base-Base interactions energy: -369.140
where: short stacking energy: -152.458
Base-Backbone interact. energy: -0.087
local terms energy: -174.014212
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -520.798246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.798246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.928593 (E_RNA)
where:
Base-Base interactions energy: -355.835
where: short stacking energy: -149.053
Base-Backbone interact. energy: -0.873
local terms energy: -164.220999
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -44.876
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: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -517.735719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.735719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.931928 (E_RNA)
where:
Base-Base interactions energy: -370.053
where: short stacking energy: -141.660
Base-Backbone interact. energy: -1.288
local terms energy: -146.591052
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -38.818
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -514.148091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.148091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.660344 (E_RNA)
where:
Base-Base interactions energy: -344.073
where: short stacking energy: -141.901
Base-Backbone interact. energy: -0.986
local terms energy: -169.601161
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -36.981
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -42.947
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -498.529926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.529926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.015029 (E_RNA)
where:
Base-Base interactions energy: -347.900
where: short stacking energy: -146.626
Base-Backbone interact. energy: -0.063
local terms energy: -151.051918
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -41.372
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: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -450.972069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.972069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.230775 (E_RNA)
where:
Base-Base interactions energy: -314.080
where: short stacking energy: -129.332
Base-Backbone interact. energy: 0.009
local terms energy: -137.159796
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -29.480
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: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -445.581726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.581726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.771473 (E_RNA)
where:
Base-Base interactions energy: -313.838
where: short stacking energy: -120.859
Base-Backbone interact. energy: 0.118
local terms energy: -132.051591
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -30.612
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: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -446.032147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.032147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.569768 (E_RNA)
where:
Base-Base interactions energy: -323.891
where: short stacking energy: -129.470
Base-Backbone interact. energy: 5.491
local terms energy: -128.169439
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -419.911950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.911950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.605949 (E_RNA)
where:
Base-Base interactions energy: -298.010
where: short stacking energy: -116.369
Base-Backbone interact. energy: 0.225
local terms energy: -122.820704
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -26.663
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -548.815066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.815066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.091339 (E_RNA)
where:
Base-Base interactions energy: -375.929
where: short stacking energy: -154.144
Base-Backbone interact. energy: -2.327
local terms energy: -170.835422
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -46.384
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -524.749137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.749137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.309068 (E_RNA)
where:
Base-Base interactions energy: -359.403
where: short stacking energy: -151.902
Base-Backbone interact. energy: -0.923
local terms energy: -164.983103
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -40.987
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: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -529.163135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.163135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.450084 (E_RNA)
where:
Base-Base interactions energy: -359.471
where: short stacking energy: -127.603
Base-Backbone interact. energy: -1.885
local terms energy: -169.094006
where:
bonds (distance) C4'-P energy: -36.489
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -39.150
Dist. restrs. and SS energy: 1.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -515.134990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.134990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.360995 (E_RNA)
where:
Base-Base interactions energy: -351.519
where: short stacking energy: -146.480
Base-Backbone interact. energy: -2.539
local terms energy: -161.302791
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -44.851
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: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -507.780223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.780223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.970233 (E_RNA)
where:
Base-Base interactions energy: -361.746
where: short stacking energy: -146.478
Base-Backbone interact. energy: -0.242
local terms energy: -145.981707
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -40.078
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -480.608538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.608538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.662970 (E_RNA)
where:
Base-Base interactions energy: -332.860
where: short stacking energy: -131.476
Base-Backbone interact. energy: -1.053
local terms energy: -146.750113
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -36.785
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -450.109483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.109483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.217176 (E_RNA)
where:
Base-Base interactions energy: -307.131
where: short stacking energy: -126.126
Base-Backbone interact. energy: -0.982
local terms energy: -143.104336
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -435.881063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.881063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.213400 (E_RNA)
where:
Base-Base interactions energy: -306.973
where: short stacking energy: -113.871
Base-Backbone interact. energy: -0.157
local terms energy: -129.083512
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -34.637
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: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -441.499740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.499740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.182293 (E_RNA)
where:
Base-Base interactions energy: -312.404
where: short stacking energy: -119.102
Base-Backbone interact. energy: -0.244
local terms energy: -129.534555
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -38.701
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: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -407.002127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.002127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.227659 (E_RNA)
where:
Base-Base interactions energy: -281.415
where: short stacking energy: -105.615
Base-Backbone interact. energy: -0.402
local terms energy: -125.410221
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -24.258
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: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -547.752038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.752038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.800690 (E_RNA)
where:
Base-Base interactions energy: -370.562
where: short stacking energy: -139.625
Base-Backbone interact. energy: -1.419
local terms energy: -175.820570
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -44.991
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: 462
Temperature: 0.950000
Total energy: -516.107031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.107031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.284072 (E_RNA)
where:
Base-Base interactions energy: -349.266
where: short stacking energy: -145.417
Base-Backbone interact. energy: -1.552
local terms energy: -165.466480
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -44.314
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -537.593936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.593936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.958201 (E_RNA)
where:
Base-Base interactions energy: -356.712
where: short stacking energy: -141.209
Base-Backbone interact. energy: -1.081
local terms energy: -180.164987
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -42.839
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: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -514.625492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.625492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.090097 (E_RNA)
where:
Base-Base interactions energy: -359.709
where: short stacking energy: -142.611
Base-Backbone interact. energy: -0.018
local terms energy: -155.362608
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -38.430
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: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -505.569738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.569738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.971566 (E_RNA)
where:
Base-Base interactions energy: -345.066
where: short stacking energy: -140.209
Base-Backbone interact. energy: 0.466
local terms energy: -161.371450
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -485.967238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.967238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.554569 (E_RNA)
where:
Base-Base interactions energy: -346.938
where: short stacking energy: -141.307
Base-Backbone interact. energy: -1.158
local terms energy: -138.458589
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -36.255
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: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -461.261466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.261466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.833045 (E_RNA)
where:
Base-Base interactions energy: -325.200
where: short stacking energy: -127.727
Base-Backbone interact. energy: 0.106
local terms energy: -136.739386
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -32.409
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: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -438.069620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.069620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.613957 (E_RNA)
where:
Base-Base interactions energy: -295.938
where: short stacking energy: -115.513
Base-Backbone interact. energy: -0.277
local terms energy: -142.398681
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -30.326
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: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -451.899689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.899689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.975805 (E_RNA)
where:
Base-Base interactions energy: -323.598
where: short stacking energy: -123.598
Base-Backbone interact. energy: -0.355
local terms energy: -131.022143
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -33.798
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -408.598788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.598788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.237171 (E_RNA)
where:
Base-Base interactions energy: -272.918
where: short stacking energy: -111.662
Base-Backbone interact. energy: -0.452
local terms energy: -135.867675
where:
bonds (distance) C4'-P energy: -28.417
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -29.737
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: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -549.450432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.450432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.864221 (E_RNA)
where:
Base-Base interactions energy: -369.370
where: short stacking energy: -150.532
Base-Backbone interact. energy: -0.898
local terms energy: -179.595701
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -42.834
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: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -536.199958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.709226 (E_RNA)
where:
Base-Base interactions energy: -371.627
where: short stacking energy: -138.058
Base-Backbone interact. energy: -0.418
local terms energy: -164.663477
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -39.384
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: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -526.303190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.303190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.452895 (E_RNA)
where:
Base-Base interactions energy: -359.627
where: short stacking energy: -152.156
Base-Backbone interact. energy: 0.592
local terms energy: -167.418628
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -34.713
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -41.124
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -524.141387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.141387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.499971 (E_RNA)
where:
Base-Base interactions energy: -369.010
where: short stacking energy: -153.277
Base-Backbone interact. energy: 2.110
local terms energy: -157.600589
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -41.333
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -514.856055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.856055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.215466 (E_RNA)
where:
Base-Base interactions energy: -357.523
where: short stacking energy: -140.759
Base-Backbone interact. energy: -1.200
local terms energy: -156.493209
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -45.764
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -482.743372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.743372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.220944 (E_RNA)
where:
Base-Base interactions energy: -337.320
where: short stacking energy: -135.720
Base-Backbone interact. energy: -0.812
local terms energy: -145.088616
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -41.358
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -447.423201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.423201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.844800 (E_RNA)
where:
Base-Base interactions energy: -318.642
where: short stacking energy: -126.017
Base-Backbone interact. energy: 1.896
local terms energy: -131.099727
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -33.421
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: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -439.743573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.743573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.073218 (E_RNA)
where:
Base-Base interactions energy: -305.230
where: short stacking energy: -118.613
Base-Backbone interact. energy: 0.864
local terms energy: -135.707556
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -32.745
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -31.036
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: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -445.075167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.075167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.616729 (E_RNA)
where:
Base-Base interactions energy: -311.125
where: short stacking energy: -121.971
Base-Backbone interact. energy: 0.562
local terms energy: -135.053854
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -29.634
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: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -408.894291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.894291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.164760 (E_RNA)
where:
Base-Base interactions energy: -293.588
where: short stacking energy: -114.542
Base-Backbone interact. energy: -0.260
local terms energy: -115.317046
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -27.102
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: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -553.017419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.017419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.086627 (E_RNA)
where:
Base-Base interactions energy: -385.821
where: short stacking energy: -156.767
Base-Backbone interact. energy: 1.306
local terms energy: -168.571556
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -44.014
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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -546.121211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.121211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.442774 (E_RNA)
where:
Base-Base interactions energy: -385.790
where: short stacking energy: -163.416
Base-Backbone interact. energy: -0.402
local terms energy: -160.251442
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -42.224
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -525.635511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.635511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.294480 (E_RNA)
where:
Base-Base interactions energy: -347.027
where: short stacking energy: -144.490
Base-Backbone interact. energy: -0.430
local terms energy: -178.837646
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -38.189
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -25.706
tors. eta vs tors. theta energy: -41.250
Dist. restrs. and SS energy: 0.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -516.314586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.314586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.362129 (E_RNA)
where:
Base-Base interactions energy: -368.243
where: short stacking energy: -144.244
Base-Backbone interact. energy: -0.410
local terms energy: -147.708998
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -39.776
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: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -507.580130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.580130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.955507 (E_RNA)
where:
Base-Base interactions energy: -343.770
where: short stacking energy: -136.771
Base-Backbone interact. energy: -0.505
local terms energy: -163.680399
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -43.977
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: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -486.249432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.249432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.613477 (E_RNA)
where:
Base-Base interactions energy: -331.390
where: short stacking energy: -135.190
Base-Backbone interact. energy: -1.181
local terms energy: -155.042018
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -42.272
Dist. restrs. and SS energy: 1.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -466.358771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.358771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.699065 (E_RNA)
where:
Base-Base interactions energy: -316.864
where: short stacking energy: -132.253
Base-Backbone interact. energy: -0.307
local terms energy: -149.528518
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -35.118
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: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -432.876433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.876433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.284902 (E_RNA)
where:
Base-Base interactions energy: -297.484
where: short stacking energy: -119.509
Base-Backbone interact. energy: -0.172
local terms energy: -135.628914
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -26.425
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: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -436.330925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.330925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.666801 (E_RNA)
where:
Base-Base interactions energy: -307.518
where: short stacking energy: -112.079
Base-Backbone interact. energy: 0.628
local terms energy: -129.777506
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -413.062035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.062035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.030570 (E_RNA)
where:
Base-Base interactions energy: -278.687
where: short stacking energy: -110.776
Base-Backbone interact. energy: -0.246
local terms energy: -135.097234
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -28.714
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: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -557.967288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.967288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.042631 (E_RNA)
where:
Base-Base interactions energy: -379.891
where: short stacking energy: -164.909
Base-Backbone interact. energy: 0.869
local terms energy: -179.020770
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -29.121
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -534.894702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.894702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.039654 (E_RNA)
where:
Base-Base interactions energy: -362.346
where: short stacking energy: -157.193
Base-Backbone interact. energy: 0.151
local terms energy: -172.844403
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -46.854
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -542.830963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.830963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.951890 (E_RNA)
where:
Base-Base interactions energy: -367.761
where: short stacking energy: -158.663
Base-Backbone interact. energy: -1.370
local terms energy: -173.821240
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -44.358
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: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -524.037775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.037775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.370576 (E_RNA)
where:
Base-Base interactions energy: -364.803
where: short stacking energy: -130.526
Base-Backbone interact. energy: -1.092
local terms energy: -158.475553
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -35.586
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -491.921101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.921101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.129752 (E_RNA)
where:
Base-Base interactions energy: -353.252
where: short stacking energy: -142.039
Base-Backbone interact. energy: 0.909
local terms energy: -139.786737
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -44.031
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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -478.646692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.646692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.791087 (E_RNA)
where:
Base-Base interactions energy: -351.219
where: short stacking energy: -137.878
Base-Backbone interact. energy: 0.040
local terms energy: -127.611966
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -38.839
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: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -459.666150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.666150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.192619 (E_RNA)
where:
Base-Base interactions energy: -323.654
where: short stacking energy: -127.645
Base-Backbone interact. energy: -0.909
local terms energy: -135.630016
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -32.565
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: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -469.527958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.808016 (E_RNA)
where:
Base-Base interactions energy: -313.818
where: short stacking energy: -128.005
Base-Backbone interact. energy: -0.475
local terms energy: -155.515071
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -35.462
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: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -416.757062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.757062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.926351 (E_RNA)
where:
Base-Base interactions energy: -294.646
where: short stacking energy: -113.270
Base-Backbone interact. energy: 0.757
local terms energy: -126.037774
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 3.169 (S_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: 465
Temperature: 1.350000
Total energy: -421.324863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.324863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.039599 (E_RNA)
where:
Base-Base interactions energy: -291.272
where: short stacking energy: -113.859
Base-Backbone interact. energy: -0.667
local terms energy: -130.100608
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -27.539
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: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -544.446286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.446286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.666806 (E_RNA)
where:
Base-Base interactions energy: -371.447
where: short stacking energy: -156.254
Base-Backbone interact. energy: -0.224
local terms energy: -172.996010
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -44.604
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -548.409362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.409362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.750581 (E_RNA)
where:
Base-Base interactions energy: -376.548
where: short stacking energy: -149.000
Base-Backbone interact. energy: 0.475
local terms energy: -172.678002
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -38.238
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -43.492
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: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -515.510146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.610074 (E_RNA)
where:
Base-Base interactions energy: -359.751
where: short stacking energy: -147.886
Base-Backbone interact. energy: -0.220
local terms energy: -155.639409
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -39.089
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -528.320429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.320429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.441848 (E_RNA)
where:
Base-Base interactions energy: -370.565
where: short stacking energy: -145.526
Base-Backbone interact. energy: -0.814
local terms energy: -157.062777
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -44.264
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -505.100807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.100807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.528843 (E_RNA)
where:
Base-Base interactions energy: -356.039
where: short stacking energy: -132.301
Base-Backbone interact. energy: 0.199
local terms energy: -149.689000
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -34.601
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: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -510.825071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.825071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.984442 (E_RNA)
where:
Base-Base interactions energy: -347.135
where: short stacking energy: -138.860
Base-Backbone interact. energy: -0.539
local terms energy: -163.309779
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -42.825
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: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -454.473857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.473857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.722961 (E_RNA)
where:
Base-Base interactions energy: -305.062
where: short stacking energy: -112.142
Base-Backbone interact. energy: -1.322
local terms energy: -148.338737
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -29.626
tors. eta vs tors. theta energy: -33.910
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: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -459.909496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.909496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.712541 (E_RNA)
where:
Base-Base interactions energy: -325.348
where: short stacking energy: -116.622
Base-Backbone interact. energy: -0.676
local terms energy: -134.688396
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -411.788035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.788035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.836022 (E_RNA)
where:
Base-Base interactions energy: -296.132
where: short stacking energy: -118.969
Base-Backbone interact. energy: -1.750
local terms energy: -114.954063
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 1.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -415.832353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.832353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.389304 (E_RNA)
where:
Base-Base interactions energy: -300.699
where: short stacking energy: -115.536
Base-Backbone interact. energy: 4.708
local terms energy: -120.398133
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -27.407
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: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -545.527213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.527213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.825944 (E_RNA)
where:
Base-Base interactions energy: -374.396
where: short stacking energy: -152.669
Base-Backbone interact. energy: 1.056
local terms energy: -172.485706
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -45.075
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: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -541.629677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.629677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.859996 (E_RNA)
where:
Base-Base interactions energy: -375.652
where: short stacking energy: -140.581
Base-Backbone interact. energy: -0.070
local terms energy: -166.138520
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -42.424
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -531.119962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.119962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.150681 (E_RNA)
where:
Base-Base interactions energy: -364.431
where: short stacking energy: -145.110
Base-Backbone interact. energy: -1.740
local terms energy: -164.979969
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -29.511
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -529.407081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.407081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.475235 (E_RNA)
where:
Base-Base interactions energy: -364.909
where: short stacking energy: -150.984
Base-Backbone interact. energy: -0.903
local terms energy: -163.663639
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -39.812
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -500.194608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.194608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.397603 (E_RNA)
where:
Base-Base interactions energy: -349.803
where: short stacking energy: -130.888
Base-Backbone interact. energy: 1.343
local terms energy: -151.936993
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -36.289
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -494.101549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.101549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.554822 (E_RNA)
where:
Base-Base interactions energy: -329.797
where: short stacking energy: -136.977
Base-Backbone interact. energy: -0.747
local terms energy: -164.010593
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -41.706
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: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -461.460494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.460494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.871481 (E_RNA)
where:
Base-Base interactions energy: -319.282
where: short stacking energy: -126.245
Base-Backbone interact. energy: 0.070
local terms energy: -142.659344
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -33.364
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: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -448.614892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.614892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.983701 (E_RNA)
where:
Base-Base interactions energy: -317.553
where: short stacking energy: -125.704
Base-Backbone interact. energy: -0.228
local terms energy: -132.202665
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -431.517639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.517639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.732417 (E_RNA)
where:
Base-Base interactions energy: -298.035
where: short stacking energy: -115.973
Base-Backbone interact. energy: -0.750
local terms energy: -137.947631
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -32.422
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 5.215 (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: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -426.054775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.054775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.418925 (E_RNA)
where:
Base-Base interactions energy: -299.289
where: short stacking energy: -117.376
Base-Backbone interact. energy: -0.872
local terms energy: -126.257498
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -29.398
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: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -545.772158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.772158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.936203 (E_RNA)
where:
Base-Base interactions energy: -365.613
where: short stacking energy: -157.265
Base-Backbone interact. energy: -1.956
local terms energy: -178.367074
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -535.900747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.900747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.187220 (E_RNA)
where:
Base-Base interactions energy: -369.067
where: short stacking energy: -152.993
Base-Backbone interact. energy: -0.382
local terms energy: -166.738212
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -44.252
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -526.124295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.124295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.351258 (E_RNA)
where:
Base-Base interactions energy: -372.570
where: short stacking energy: -144.907
Base-Backbone interact. energy: -0.474
local terms energy: -153.306379
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -36.267
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: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -527.442714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.442714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.468908 (E_RNA)
where:
Base-Base interactions energy: -374.844
where: short stacking energy: -139.749
Base-Backbone interact. energy: -0.628
local terms energy: -151.997441
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -42.255
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -499.424129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.424129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.993364 (E_RNA)
where:
Base-Base interactions energy: -358.034
where: short stacking energy: -138.697
Base-Backbone interact. energy: -2.359
local terms energy: -139.600568
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -35.176
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: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -485.537980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.537980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.494929 (E_RNA)
where:
Base-Base interactions energy: -342.416
where: short stacking energy: -139.992
Base-Backbone interact. energy: -0.637
local terms energy: -143.441849
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -36.248
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -480.435927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.435927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.753811 (E_RNA)
where:
Base-Base interactions energy: -337.028
where: short stacking energy: -128.605
Base-Backbone interact. energy: -0.151
local terms energy: -143.575273
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -34.801
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: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -463.545070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.545070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.826864 (E_RNA)
where:
Base-Base interactions energy: -326.655
where: short stacking energy: -125.322
Base-Backbone interact. energy: -0.359
local terms energy: -136.812561
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -31.095
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -435.382810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.382810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.673502 (E_RNA)
where:
Base-Base interactions energy: -298.718
where: short stacking energy: -122.984
Base-Backbone interact. energy: 0.201
local terms energy: -142.156415
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -31.363
Dist. restrs. and SS energy: 5.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -398.243888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.243888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.311575 (E_RNA)
where:
Base-Base interactions energy: -277.355
where: short stacking energy: -102.554
Base-Backbone interact. energy: -1.054
local terms energy: -121.902900
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 2.068 (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: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -553.486347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.486347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.941490 (E_RNA)
where:
Base-Base interactions energy: -379.131
where: short stacking energy: -162.130
Base-Backbone interact. energy: -0.436
local terms energy: -174.374682
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -42.383
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -45.817
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: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -541.938714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.938714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.513401 (E_RNA)
where:
Base-Base interactions energy: -375.565
where: short stacking energy: -159.314
Base-Backbone interact. energy: -0.186
local terms energy: -166.761517
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -38.425
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -42.833
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -535.354158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.354158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.517886 (E_RNA)
where:
Base-Base interactions energy: -376.619
where: short stacking energy: -147.449
Base-Backbone interact. energy: 0.588
local terms energy: -159.487603
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -36.895
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -41.190
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: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -516.672002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.672002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.382145 (E_RNA)
where:
Base-Base interactions energy: -358.108
where: short stacking energy: -143.212
Base-Backbone interact. energy: -1.814
local terms energy: -157.460600
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -37.670
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -39.798
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: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -513.751134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.751134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.484190 (E_RNA)
where:
Base-Base interactions energy: -357.689
where: short stacking energy: -128.599
Base-Backbone interact. energy: 1.263
local terms energy: -158.058585
where:
bonds (distance) C4'-P energy: -33.142
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -35.266
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: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -467.984433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.984433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.599714 (E_RNA)
where:
Base-Base interactions energy: -327.680
where: short stacking energy: -125.808
Base-Backbone interact. energy: -0.336
local terms energy: -140.583704
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -33.535
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: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -477.513142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.513142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.905509 (E_RNA)
where:
Base-Base interactions energy: -328.562
where: short stacking energy: -134.989
Base-Backbone interact. energy: -2.282
local terms energy: -147.061202
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -36.574
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: 469
Temperature: 1.250000
Total energy: -468.048290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.048290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.302586 (E_RNA)
where:
Base-Base interactions energy: -333.282
where: short stacking energy: -132.863
Base-Backbone interact. energy: 0.645
local terms energy: -141.664812
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -38.368
Dist. restrs. and SS energy: 6.254 (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: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -444.685292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.685292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.425917 (E_RNA)
where:
Base-Base interactions energy: -303.432
where: short stacking energy: -107.182
Base-Backbone interact. energy: -0.692
local terms energy: -141.302053
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -30.096
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -425.679317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.679317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.121650 (E_RNA)
where:
Base-Base interactions energy: -296.993
where: short stacking energy: -112.935
Base-Backbone interact. energy: -1.037
local terms energy: -128.091362
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -24.445
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: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -535.782570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.782570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.958378 (E_RNA)
where:
Base-Base interactions energy: -371.229
where: short stacking energy: -152.961
Base-Backbone interact. energy: 0.437
local terms energy: -165.166514
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -44.223
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -526.476060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.476060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.712885 (E_RNA)
where:
Base-Base interactions energy: -352.837
where: short stacking energy: -140.609
Base-Backbone interact. energy: -1.015
local terms energy: -172.860276
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -36.900
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -39.622
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: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -537.989448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.989448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.161930 (E_RNA)
where:
Base-Base interactions energy: -362.130
where: short stacking energy: -135.219
Base-Backbone interact. energy: 0.237
local terms energy: -176.268993
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -41.532
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: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -519.803611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.063293 (E_RNA)
where:
Base-Base interactions energy: -369.714
where: short stacking energy: -153.228
Base-Backbone interact. energy: 0.619
local terms energy: -150.968224
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -44.993
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: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -477.705051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.705051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.950120 (E_RNA)
where:
Base-Base interactions energy: -330.025
where: short stacking energy: -125.640
Base-Backbone interact. energy: 0.673
local terms energy: -148.598750
where:
bonds (distance) C4'-P energy: -33.929
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -33.511
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: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -505.180737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.180737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.648175 (E_RNA)
where:
Base-Base interactions energy: -358.896
where: short stacking energy: -142.481
Base-Backbone interact. energy: -1.892
local terms energy: -144.859454
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -35.385
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: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -473.347012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.347012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.078655 (E_RNA)
where:
Base-Base interactions energy: -329.902
where: short stacking energy: -143.084
Base-Backbone interact. energy: -1.327
local terms energy: -143.849657
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -39.358
Dist. restrs. and SS energy: 1.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -464.398727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.398727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.204214 (E_RNA)
where:
Base-Base interactions energy: -330.955
where: short stacking energy: -121.281
Base-Backbone interact. energy: -0.587
local terms energy: -139.662164
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -34.194
Dist. restrs. and SS energy: 6.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -432.560742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.560742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.289198 (E_RNA)
where:
Base-Base interactions energy: -291.718
where: short stacking energy: -111.889
Base-Backbone interact. energy: -0.509
local terms energy: -141.061625
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -29.879
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -440.370739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.370739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.601006 (E_RNA)
where:
Base-Base interactions energy: -312.265
where: short stacking energy: -114.754
Base-Backbone interact. energy: -0.082
local terms energy: -128.254110
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -26.801
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: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -533.723481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.723481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.979802 (E_RNA)
where:
Base-Base interactions energy: -357.244
where: short stacking energy: -147.157
Base-Backbone interact. energy: -0.593
local terms energy: -176.143221
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -40.696
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -44.721
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: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -531.356054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.356054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.779737 (E_RNA)
where:
Base-Base interactions energy: -367.459
where: short stacking energy: -148.511
Base-Backbone interact. energy: -0.405
local terms energy: -163.915732
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -36.766
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: -40.459
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -537.914441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.914441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.987083 (E_RNA)
where:
Base-Base interactions energy: -382.117
where: short stacking energy: -154.284
Base-Backbone interact. energy: -1.485
local terms energy: -154.385191
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -42.448
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: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -510.451855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.451855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.696315 (E_RNA)
where:
Base-Base interactions energy: -351.786
where: short stacking energy: -142.814
Base-Backbone interact. energy: 3.478
local terms energy: -162.388272
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -35.826
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -36.256
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: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -503.368483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.368483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.639878 (E_RNA)
where:
Base-Base interactions energy: -347.625
where: short stacking energy: -138.655
Base-Backbone interact. energy: -1.167
local terms energy: -154.848536
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -42.463
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: 471
Temperature: 1.150000
Total energy: -483.375079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.375079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.277736 (E_RNA)
where:
Base-Base interactions energy: -314.562
where: short stacking energy: -117.487
Base-Backbone interact. energy: -0.485
local terms energy: -169.230581
where:
bonds (distance) C4'-P energy: -35.002
bonds (distance) P-C4' energy: -35.751
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -35.118
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -485.328533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.328533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.853423 (E_RNA)
where:
Base-Base interactions energy: -343.904
where: short stacking energy: -129.796
Base-Backbone interact. energy: -0.998
local terms energy: -140.950675
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -36.544
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: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -466.473360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.473360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.983210 (E_RNA)
where:
Base-Base interactions energy: -320.321
where: short stacking energy: -121.182
Base-Backbone interact. energy: 1.137
local terms energy: -153.799663
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -38.259
Dist. restrs. and SS energy: 6.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -402.026503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.026503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.531927 (E_RNA)
where:
Base-Base interactions energy: -271.490
where: short stacking energy: -99.475
Base-Backbone interact. energy: -1.810
local terms energy: -129.232059
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -23.843
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: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -423.681900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.681900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.555077 (E_RNA)
where:
Base-Base interactions energy: -286.196
where: short stacking energy: -122.577
Base-Backbone interact. energy: -1.663
local terms energy: -136.696186
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -552.001209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.001209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.238641 (E_RNA)
where:
Base-Base interactions energy: -378.284
where: short stacking energy: -159.311
Base-Backbone interact. energy: -0.695
local terms energy: -173.258904
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -46.569
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -537.467725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.467725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.798060 (E_RNA)
where:
Base-Base interactions energy: -386.076
where: short stacking energy: -157.904
Base-Backbone interact. energy: -1.158
local terms energy: -150.564670
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -45.203
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -529.715604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.715604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.951337 (E_RNA)
where:
Base-Base interactions energy: -354.749
where: short stacking energy: -144.303
Base-Backbone interact. energy: -0.645
local terms energy: -174.557365
where:
bonds (distance) C4'-P energy: -34.526
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -44.559
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -513.328698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.328698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.775101 (E_RNA)
where:
Base-Base interactions energy: -364.504
where: short stacking energy: -148.980
Base-Backbone interact. energy: 0.881
local terms energy: -150.151688
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -40.765
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -510.499451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.499451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.642299 (E_RNA)
where:
Base-Base interactions energy: -343.902
where: short stacking energy: -131.805
Base-Backbone interact. energy: 4.293
local terms energy: -171.033195
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -30.822
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -42.482
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: 472
Temperature: 1.150000
Total energy: -484.698830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.698830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.821329 (E_RNA)
where:
Base-Base interactions energy: -331.465
where: short stacking energy: -128.794
Base-Backbone interact. energy: -0.912
local terms energy: -153.444102
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -37.328
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -31.999
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -492.652538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.652538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.269817 (E_RNA)
where:
Base-Base interactions energy: -353.050
where: short stacking energy: -143.590
Base-Backbone interact. energy: -0.152
local terms energy: -140.067629
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -37.309
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: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -457.159968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.159968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.022556 (E_RNA)
where:
Base-Base interactions energy: -327.932
where: short stacking energy: -130.557
Base-Backbone interact. energy: -0.597
local terms energy: -134.494188
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -37.632
Dist. restrs. and SS energy: 5.863 (S_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: 472
Temperature: 1.300000
Total energy: -435.011526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.011526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.410883 (E_RNA)
where:
Base-Base interactions energy: -309.699
where: short stacking energy: -114.002
Base-Backbone interact. energy: 1.689
local terms energy: -127.401093
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -30.912
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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -350.136650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.136650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.748185 (E_RNA)
where:
Base-Base interactions energy: -237.073
where: short stacking energy: -102.768
Base-Backbone interact. energy: -0.898
local terms energy: -123.776652
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 11.612 (S_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: 473
Temperature: 0.900000
Total energy: -553.309851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.309851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.689820 (E_RNA)
where:
Base-Base interactions energy: -379.803
where: short stacking energy: -155.355
Base-Backbone interact. energy: -1.549
local terms energy: -172.337601
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -51.066
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: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -538.285538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.285538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.652921 (E_RNA)
where:
Base-Base interactions energy: -366.229
where: short stacking energy: -153.107
Base-Backbone interact. energy: -1.111
local terms energy: -171.312680
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -42.420
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: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -525.648056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.648056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.784953 (E_RNA)
where:
Base-Base interactions energy: -362.075
where: short stacking energy: -140.807
Base-Backbone interact. energy: -0.873
local terms energy: -162.836998
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -40.276
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -517.291324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.291324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.756429 (E_RNA)
where:
Base-Base interactions energy: -353.744
where: short stacking energy: -142.419
Base-Backbone interact. energy: -0.310
local terms energy: -163.702389
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -39.329
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: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -489.575504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.575504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.753082 (E_RNA)
where:
Base-Base interactions energy: -333.116
where: short stacking energy: -145.670
Base-Backbone interact. energy: -0.393
local terms energy: -156.243507
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -37.575
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: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -509.977369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.977369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.737686 (E_RNA)
where:
Base-Base interactions energy: -353.340
where: short stacking energy: -137.741
Base-Backbone interact. energy: 0.256
local terms energy: -157.654254
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -36.534
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -43.749
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -466.698585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.698585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.247041 (E_RNA)
where:
Base-Base interactions energy: -326.366
where: short stacking energy: -136.157
Base-Backbone interact. energy: 3.067
local terms energy: -143.948146
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -39.321
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -441.812116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.812116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.126833 (E_RNA)
where:
Base-Base interactions energy: -305.883
where: short stacking energy: -115.420
Base-Backbone interact. energy: -0.844
local terms energy: -135.399890
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -24.475
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: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -421.021567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.021567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.676827 (E_RNA)
where:
Base-Base interactions energy: -292.437
where: short stacking energy: -112.804
Base-Backbone interact. energy: -0.926
local terms energy: -132.313478
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -384.795129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.795129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.177622 (E_RNA)
where:
Base-Base interactions energy: -264.426
where: short stacking energy: -98.914
Base-Backbone interact. energy: -0.763
local terms energy: -119.988047
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -23.941
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: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -550.443113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.443113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.711768 (E_RNA)
where:
Base-Base interactions energy: -389.067
where: short stacking energy: -149.044
Base-Backbone interact. energy: -0.684
local terms energy: -160.961544
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -45.535
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: 474
Temperature: 0.950000
Total energy: -539.475918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.475918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.615145 (E_RNA)
where:
Base-Base interactions energy: -369.569
where: short stacking energy: -154.059
Base-Backbone interact. energy: -0.504
local terms energy: -169.542203
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -38.743
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -44.259
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -522.661810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.661810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.798871 (E_RNA)
where:
Base-Base interactions energy: -349.237
where: short stacking energy: -143.585
Base-Backbone interact. energy: -2.288
local terms energy: -171.274298
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -37.842
flat angles P-C4'-P energy: -26.739
tors. eta vs tors. theta energy: -38.806
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -514.207639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.207639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.530786 (E_RNA)
where:
Base-Base interactions energy: -350.800
where: short stacking energy: -142.950
Base-Backbone interact. energy: -1.095
local terms energy: -162.635753
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -39.674
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -42.294
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -509.397828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.397828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.669451 (E_RNA)
where:
Base-Base interactions energy: -353.915
where: short stacking energy: -143.936
Base-Backbone interact. energy: -0.687
local terms energy: -155.067383
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -41.472
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -484.118714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.118714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.714640 (E_RNA)
where:
Base-Base interactions energy: -340.644
where: short stacking energy: -144.740
Base-Backbone interact. energy: -0.260
local terms energy: -143.810575
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -33.834
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -465.256973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.256973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.256973 (E_RNA)
where:
Base-Base interactions energy: -322.085
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.159
local terms energy: -143.012137
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -28.527
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -480.700491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.700491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.280821 (E_RNA)
where:
Base-Base interactions energy: -323.808
where: short stacking energy: -141.002
Base-Backbone interact. energy: -0.473
local terms energy: -156.999052
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -40.582
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: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -428.728674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.728674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.169017 (E_RNA)
where:
Base-Base interactions energy: -296.655
where: short stacking energy: -114.182
Base-Backbone interact. energy: 2.388
local terms energy: -134.902071
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -28.976
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: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -416.609059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.609059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.723984 (E_RNA)
where:
Base-Base interactions energy: -293.647
where: short stacking energy: -100.012
Base-Backbone interact. energy: 0.774
local terms energy: -124.850333
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -547.884396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.884396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.205080 (E_RNA)
where:
Base-Base interactions energy: -373.920
where: short stacking energy: -146.901
Base-Backbone interact. energy: -1.088
local terms energy: -173.196873
where:
bonds (distance) C4'-P energy: -37.824
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -36.830
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -533.511480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.511480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.633763 (E_RNA)
where:
Base-Base interactions energy: -368.487
where: short stacking energy: -157.769
Base-Backbone interact. energy: -0.734
local terms energy: -164.413495
where:
bonds (distance) C4'-P energy: -35.030
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -45.223
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -535.272919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.272919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.900827 (E_RNA)
where:
Base-Base interactions energy: -352.644
where: short stacking energy: -139.613
Base-Backbone interact. energy: -1.252
local terms energy: -182.004984
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -42.590
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: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -518.628173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.628173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.986735 (E_RNA)
where:
Base-Base interactions energy: -359.946
where: short stacking energy: -151.244
Base-Backbone interact. energy: 0.420
local terms energy: -159.460760
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -500.042057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.042057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.516933 (E_RNA)
where:
Base-Base interactions energy: -342.001
where: short stacking energy: -134.355
Base-Backbone interact. energy: 1.451
local terms energy: -159.967157
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -37.357
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: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -494.882306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.882306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.708747 (E_RNA)
where:
Base-Base interactions energy: -345.213
where: short stacking energy: -133.027
Base-Backbone interact. energy: 2.014
local terms energy: -152.510120
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -38.003
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -463.263847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.263847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.369845 (E_RNA)
where:
Base-Base interactions energy: -323.013
where: short stacking energy: -119.590
Base-Backbone interact. energy: -0.638
local terms energy: -139.719378
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -31.976
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: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -478.153442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.153442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.739292 (E_RNA)
where:
Base-Base interactions energy: -336.064
where: short stacking energy: -120.770
Base-Backbone interact. energy: 1.170
local terms energy: -143.845123
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -37.576
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -445.972964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.972964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.306761 (E_RNA)
where:
Base-Base interactions energy: -315.617
where: short stacking energy: -123.861
Base-Backbone interact. energy: 0.117
local terms energy: -130.806260
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -26.825
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: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -431.958409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.958409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.110669 (E_RNA)
where:
Base-Base interactions energy: -308.971
where: short stacking energy: -116.096
Base-Backbone interact. energy: -0.722
local terms energy: -122.417720
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -34.183
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -537.262048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.262048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.846947 (E_RNA)
where:
Base-Base interactions energy: -369.901
where: short stacking energy: -159.046
Base-Backbone interact. energy: -1.378
local terms energy: -166.568457
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -42.172
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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -548.121650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.121650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.374154 (E_RNA)
where:
Base-Base interactions energy: -385.919
where: short stacking energy: -161.433
Base-Backbone interact. energy: -0.468
local terms energy: -161.986794
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -540.657217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.657217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.731491 (E_RNA)
where:
Base-Base interactions energy: -378.478
where: short stacking energy: -147.129
Base-Backbone interact. energy: -0.680
local terms energy: -161.574084
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -39.688
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -45.729
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -523.515883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.515883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.658557 (E_RNA)
where:
Base-Base interactions energy: -363.892
where: short stacking energy: -154.309
Base-Backbone interact. energy: 5.489
local terms energy: -165.256287
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -42.915
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: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -480.402760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.402760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.869567 (E_RNA)
where:
Base-Base interactions energy: -334.569
where: short stacking energy: -125.092
Base-Backbone interact. energy: -1.143
local terms energy: -145.158440
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -31.208
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -509.728277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.728277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.944428 (E_RNA)
where:
Base-Base interactions energy: -345.275
where: short stacking energy: -142.919
Base-Backbone interact. energy: -0.788
local terms energy: -163.882014
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -40.523
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: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -456.027357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.027357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.224506 (E_RNA)
where:
Base-Base interactions energy: -322.345
where: short stacking energy: -112.489
Base-Backbone interact. energy: 0.861
local terms energy: -134.740558
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -36.471
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: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -440.127503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.127503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.492369 (E_RNA)
where:
Base-Base interactions energy: -317.972
where: short stacking energy: -122.231
Base-Backbone interact. energy: -0.744
local terms energy: -121.776487
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -31.811
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: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -442.469866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.469866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.044682 (E_RNA)
where:
Base-Base interactions energy: -298.948
where: short stacking energy: -113.764
Base-Backbone interact. energy: 2.208
local terms energy: -146.304883
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -33.665
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: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -424.865164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.865164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.252253 (E_RNA)
where:
Base-Base interactions energy: -299.545
where: short stacking energy: -109.377
Base-Backbone interact. energy: -0.016
local terms energy: -125.691323
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -23.655
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: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -536.972012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.972012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.214961 (E_RNA)
where:
Base-Base interactions energy: -370.010
where: short stacking energy: -158.300
Base-Backbone interact. energy: -1.547
local terms energy: -165.658569
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -42.999
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: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -549.104775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.104775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.282793 (E_RNA)
where:
Base-Base interactions energy: -374.432
where: short stacking energy: -152.440
Base-Backbone interact. energy: -0.568
local terms energy: -174.282940
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -46.895
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -542.085371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.085371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.487903 (E_RNA)
where:
Base-Base interactions energy: -375.501
where: short stacking energy: -160.875
Base-Backbone interact. energy: 0.614
local terms energy: -167.600046
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -45.826
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -492.253674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.253674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.502520 (E_RNA)
where:
Base-Base interactions energy: -345.391
where: short stacking energy: -147.123
Base-Backbone interact. energy: -0.723
local terms energy: -146.388228
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -41.581
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -507.432754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.432754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.781824 (E_RNA)
where:
Base-Base interactions energy: -344.292
where: short stacking energy: -145.998
Base-Backbone interact. energy: -1.380
local terms energy: -162.109881
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -41.562
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: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -492.256240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.256240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.493809 (E_RNA)
where:
Base-Base interactions energy: -344.727
where: short stacking energy: -140.422
Base-Backbone interact. energy: 0.284
local terms energy: -148.050106
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -37.694
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -449.417469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.417469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.693605 (E_RNA)
where:
Base-Base interactions energy: -322.101
where: short stacking energy: -128.425
Base-Backbone interact. energy: 1.315
local terms energy: -128.907639
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -34.096
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -32.495
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: 477
Temperature: 1.250000
Total energy: -467.696333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.696333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.236072 (E_RNA)
where:
Base-Base interactions energy: -320.168
where: short stacking energy: -138.318
Base-Backbone interact. energy: -1.024
local terms energy: -147.044119
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -40.967
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: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -427.802519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.802519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.188125 (E_RNA)
where:
Base-Base interactions energy: -294.163
where: short stacking energy: -104.718
Base-Backbone interact. energy: 1.523
local terms energy: -135.547973
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -25.736
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: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -419.643223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.643223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.967793 (E_RNA)
where:
Base-Base interactions energy: -289.999
where: short stacking energy: -109.209
Base-Backbone interact. energy: -1.047
local terms energy: -128.922020
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -18.927
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: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -543.967147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.967147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.082769 (E_RNA)
where:
Base-Base interactions energy: -371.896
where: short stacking energy: -149.004
Base-Backbone interact. energy: -1.745
local terms energy: -170.441466
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -43.814
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: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -538.201741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.201741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.569028 (E_RNA)
where:
Base-Base interactions energy: -362.959
where: short stacking energy: -153.547
Base-Backbone interact. energy: -0.949
local terms energy: -174.660833
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -43.569
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: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -527.509727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.509727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.236128 (E_RNA)
where:
Base-Base interactions energy: -364.664
where: short stacking energy: -147.021
Base-Backbone interact. energy: -0.549
local terms energy: -163.023421
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -44.537
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: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -517.551267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.551267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.911540 (E_RNA)
where:
Base-Base interactions energy: -350.980
where: short stacking energy: -139.278
Base-Backbone interact. energy: -1.143
local terms energy: -165.788768
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -36.933
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -39.046
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: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -486.284520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.284520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.689210 (E_RNA)
where:
Base-Base interactions energy: -332.341
where: short stacking energy: -131.931
Base-Backbone interact. energy: -0.411
local terms energy: -153.937330
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -38.125
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -32.331
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: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -500.897848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.897848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.184430 (E_RNA)
where:
Base-Base interactions energy: -342.172
where: short stacking energy: -132.141
Base-Backbone interact. energy: 1.241
local terms energy: -160.252941
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -39.800
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: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -485.725613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.725613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.127795 (E_RNA)
where:
Base-Base interactions energy: -333.490
where: short stacking energy: -132.393
Base-Backbone interact. energy: -0.216
local terms energy: -152.422102
where:
bonds (distance) C4'-P energy: -29.355
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -41.959
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: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -471.587171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.587171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.033747 (E_RNA)
where:
Base-Base interactions energy: -321.729
where: short stacking energy: -128.631
Base-Backbone interact. energy: -0.587
local terms energy: -149.717022
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -32.409
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: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -439.499746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.499746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.230181 (E_RNA)
where:
Base-Base interactions energy: -310.969
where: short stacking energy: -114.525
Base-Backbone interact. energy: 0.041
local terms energy: -129.301501
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -32.403
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: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -403.559288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.559288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.225385 (E_RNA)
where:
Base-Base interactions energy: -272.245
where: short stacking energy: -100.110
Base-Backbone interact. energy: 0.712
local terms energy: -132.692818
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -22.839
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: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -549.779099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.779099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.150072 (E_RNA)
where:
Base-Base interactions energy: -383.655
where: short stacking energy: -161.218
Base-Backbone interact. energy: -0.453
local terms energy: -166.041844
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -45.117
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -538.292507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.292507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.262826 (E_RNA)
where:
Base-Base interactions energy: -369.326
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.513
local terms energy: -169.423709
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -527.031223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.150647 (E_RNA)
where:
Base-Base interactions energy: -357.529
where: short stacking energy: -142.683
Base-Backbone interact. energy: -0.776
local terms energy: -168.845521
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -41.123
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -521.040381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.040381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.347963 (E_RNA)
where:
Base-Base interactions energy: -348.904
where: short stacking energy: -143.799
Base-Backbone interact. energy: -0.974
local terms energy: -171.469347
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -41.396
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: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -470.917873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.917873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.223315 (E_RNA)
where:
Base-Base interactions energy: -323.939
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.793
local terms energy: -146.490905
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -27.767
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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -505.375801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.375801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.313251 (E_RNA)
where:
Base-Base interactions energy: -355.564
where: short stacking energy: -147.231
Base-Backbone interact. energy: -0.751
local terms energy: -149.998682
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -36.235
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: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -484.469527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.469527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.809061 (E_RNA)
where:
Base-Base interactions energy: -328.674
where: short stacking energy: -135.280
Base-Backbone interact. energy: 0.170
local terms energy: -156.304413
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -38.817
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: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -464.586447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.856968 (E_RNA)
where:
Base-Base interactions energy: -307.250
where: short stacking energy: -112.537
Base-Backbone interact. energy: -0.391
local terms energy: -157.215697
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -39.970
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: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -440.927802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.927802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.294036 (E_RNA)
where:
Base-Base interactions energy: -293.969
where: short stacking energy: -115.225
Base-Backbone interact. energy: -0.655
local terms energy: -146.669763
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -412.429205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.429205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.121990 (E_RNA)
where:
Base-Base interactions energy: -273.451
where: short stacking energy: -103.911
Base-Backbone interact. energy: -0.439
local terms energy: -139.231810
where:
bonds (distance) C4'-P energy: -34.498
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -24.744
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: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -550.523459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.523459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.930626 (E_RNA)
where:
Base-Base interactions energy: -375.898
where: short stacking energy: -155.634
Base-Backbone interact. energy: -0.853
local terms energy: -174.179732
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -37.852
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -43.388
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: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -535.434808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.434808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.013662 (E_RNA)
where:
Base-Base interactions energy: -368.978
where: short stacking energy: -146.255
Base-Backbone interact. energy: -0.548
local terms energy: -166.487971
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -39.702
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: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -517.884326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.884326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.003419 (E_RNA)
where:
Base-Base interactions energy: -359.394
where: short stacking energy: -141.567
Base-Backbone interact. energy: 0.458
local terms energy: -159.068275
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -40.823
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: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -515.075446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.075446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.563493 (E_RNA)
where:
Base-Base interactions energy: -350.096
where: short stacking energy: -133.538
Base-Backbone interact. energy: -0.672
local terms energy: -164.795355
where:
bonds (distance) C4'-P energy: -28.318
bonds (distance) P-C4' energy: -34.930
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -46.188
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: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -514.401051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.401051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.277751 (E_RNA)
where:
Base-Base interactions energy: -361.243
where: short stacking energy: -142.519
Base-Backbone interact. energy: -0.094
local terms energy: -153.940722
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -41.436
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: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -469.830815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.830815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.494419 (E_RNA)
where:
Base-Base interactions energy: -328.381
where: short stacking energy: -130.509
Base-Backbone interact. energy: 0.657
local terms energy: -142.770144
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -32.763
Dist. restrs. and SS energy: 0.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -458.149656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.149656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.652813 (E_RNA)
where:
Base-Base interactions energy: -321.932
where: short stacking energy: -132.333
Base-Backbone interact. energy: -0.898
local terms energy: -135.823158
where:
bonds (distance) C4'-P energy: -33.349
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -34.121
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: 480
Temperature: 1.250000
Total energy: -466.115357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.115357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.688578 (E_RNA)
where:
Base-Base interactions energy: -320.317
where: short stacking energy: -111.574
Base-Backbone interact. energy: -1.154
local terms energy: -145.217808
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -463.948257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.948257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.462906 (E_RNA)
where:
Base-Base interactions energy: -326.612
where: short stacking energy: -129.056
Base-Backbone interact. energy: -1.691
local terms energy: -136.160666
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -32.797
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: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -398.172704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.172704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.640889 (E_RNA)
where:
Base-Base interactions energy: -259.644
where: short stacking energy: -98.124
Base-Backbone interact. energy: -0.834
local terms energy: -138.162531
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -18.306
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: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -541.389541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.389541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.623199 (E_RNA)
where:
Base-Base interactions energy: -370.515
where: short stacking energy: -153.456
Base-Backbone interact. energy: -0.682
local terms energy: -170.425683
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -38.435
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -47.236
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: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -534.777824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.777824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.069154 (E_RNA)
where:
Base-Base interactions energy: -374.659
where: short stacking energy: -150.824
Base-Backbone interact. energy: -0.632
local terms energy: -159.778419
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -41.616
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: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -522.660003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.660003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.872891 (E_RNA)
where:
Base-Base interactions energy: -354.331
where: short stacking energy: -160.970
Base-Backbone interact. energy: -0.983
local terms energy: -167.559041
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -527.101519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.101519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.680422 (E_RNA)
where:
Base-Base interactions energy: -364.822
where: short stacking energy: -140.648
Base-Backbone interact. energy: -1.192
local terms energy: -161.666351
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -41.597
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: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -516.561617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.561617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.799685 (E_RNA)
where:
Base-Base interactions energy: -360.473
where: short stacking energy: -159.938
Base-Backbone interact. energy: -1.383
local terms energy: -154.943615
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -44.618
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -467.673909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.673909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.087941 (E_RNA)
where:
Base-Base interactions energy: -319.964
where: short stacking energy: -132.813
Base-Backbone interact. energy: -0.241
local terms energy: -147.882942
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -37.099
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: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -463.664832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.664832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.273394 (E_RNA)
where:
Base-Base interactions energy: -324.972
where: short stacking energy: -118.650
Base-Backbone interact. energy: -0.737
local terms energy: -138.564640
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -36.312
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: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -469.916465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.916465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.286573 (E_RNA)
where:
Base-Base interactions energy: -333.886
where: short stacking energy: -132.106
Base-Backbone interact. energy: 4.931
local terms energy: -141.332186
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -40.819
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: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -426.034960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.034960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.374521 (E_RNA)
where:
Base-Base interactions energy: -297.368
where: short stacking energy: -109.153
Base-Backbone interact. energy: -0.788
local terms energy: -133.218470
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 5.340 (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: 481
Temperature: 1.350000
Total energy: -404.824088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.824088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.965758 (E_RNA)
where:
Base-Base interactions energy: -286.855
where: short stacking energy: -106.449
Base-Backbone interact. energy: -0.137
local terms energy: -117.973848
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -16.453
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: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -543.002589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.002589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.362817 (E_RNA)
where:
Base-Base interactions energy: -369.258
where: short stacking energy: -156.287
Base-Backbone interact. energy: -0.417
local terms energy: -174.688505
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -36.195
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -41.699
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -543.537727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.537727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.713658 (E_RNA)
where:
Base-Base interactions energy: -366.097
where: short stacking energy: -155.396
Base-Backbone interact. energy: 2.356
local terms energy: -179.972832
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -40.256
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -47.998
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: 482
Temperature: 1.000000
Total energy: -509.616355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.616355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.749117 (E_RNA)
where:
Base-Base interactions energy: -349.766
where: short stacking energy: -153.021
Base-Backbone interact. energy: -1.484
local terms energy: -158.499306
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -43.499
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: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -527.168191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.168191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.612428 (E_RNA)
where:
Base-Base interactions energy: -363.657
where: short stacking energy: -141.421
Base-Backbone interact. energy: -0.628
local terms energy: -163.327821
where:
bonds (distance) C4'-P energy: -35.746
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -36.635
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -509.752290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.752290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.091917 (E_RNA)
where:
Base-Base interactions energy: -354.460
where: short stacking energy: -121.394
Base-Backbone interact. energy: 1.189
local terms energy: -156.820093
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -47.197
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -490.378569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.302653 (E_RNA)
where:
Base-Base interactions energy: -337.033
where: short stacking energy: -130.080
Base-Backbone interact. energy: -0.965
local terms energy: -153.304580
where:
bonds (distance) C4'-P energy: -26.654
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -42.832
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -494.202296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.202296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.622898 (E_RNA)
where:
Base-Base interactions energy: -340.085
where: short stacking energy: -135.646
Base-Backbone interact. energy: -0.470
local terms energy: -154.067569
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -39.866
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: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -441.077767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.077767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.463594 (E_RNA)
where:
Base-Base interactions energy: -305.744
where: short stacking energy: -117.294
Base-Backbone interact. energy: -0.567
local terms energy: -135.152991
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -36.130
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -427.300147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.300147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.696774 (E_RNA)
where:
Base-Base interactions energy: -298.082
where: short stacking energy: -102.812
Base-Backbone interact. energy: -1.099
local terms energy: -128.515982
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -25.934
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: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -440.997981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.997981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.158658 (E_RNA)
where:
Base-Base interactions energy: -292.946
where: short stacking energy: -104.752
Base-Backbone interact. energy: -0.247
local terms energy: -147.965566
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -33.072
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: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -547.128635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.128635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.215860 (E_RNA)
where:
Base-Base interactions energy: -368.906
where: short stacking energy: -150.539
Base-Backbone interact. energy: -2.662
local terms energy: -175.648004
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -30.097
tors. eta vs tors. theta energy: -43.210
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: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -530.630982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.630982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.969541 (E_RNA)
where:
Base-Base interactions energy: -367.951
where: short stacking energy: -139.569
Base-Backbone interact. energy: -2.216
local terms energy: -160.802388
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -33.922
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -521.109819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.109819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.136748 (E_RNA)
where:
Base-Base interactions energy: -359.072
where: short stacking energy: -141.992
Base-Backbone interact. energy: -0.165
local terms energy: -161.900073
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -500.591353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.591353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.270829 (E_RNA)
where:
Base-Base interactions energy: -345.626
where: short stacking energy: -130.168
Base-Backbone interact. energy: -0.293
local terms energy: -155.351050
where:
bonds (distance) C4'-P energy: -34.421
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -35.105
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: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -508.391455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.391455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.565595 (E_RNA)
where:
Base-Base interactions energy: -340.978
where: short stacking energy: -135.645
Base-Backbone interact. energy: -1.220
local terms energy: -166.367002
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -36.156
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: 483
Temperature: 1.150000
Total energy: -502.111014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.111014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.361576 (E_RNA)
where:
Base-Base interactions energy: -357.662
where: short stacking energy: -136.462
Base-Backbone interact. energy: -1.008
local terms energy: -143.691867
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -48.864
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -486.128109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.128109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.744363 (E_RNA)
where:
Base-Base interactions energy: -328.324
where: short stacking energy: -132.554
Base-Backbone interact. energy: 0.216
local terms energy: -158.637302
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -34.719
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -35.904
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: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -430.675566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.675566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.650256 (E_RNA)
where:
Base-Base interactions energy: -309.468
where: short stacking energy: -118.784
Base-Backbone interact. energy: 0.611
local terms energy: -123.793371
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -34.440
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -406.335832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.042027 (E_RNA)
where:
Base-Base interactions energy: -284.352
where: short stacking energy: -118.649
Base-Backbone interact. energy: -0.548
local terms energy: -125.142141
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -433.604259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.604259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.830094 (E_RNA)
where:
Base-Base interactions energy: -305.882
where: short stacking energy: -114.941
Base-Backbone interact. energy: 1.169
local terms energy: -133.117250
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -31.827
Dist. restrs. and SS energy: 4.226 (S_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: 484
Temperature: 0.900000
Total energy: -556.573774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.573774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.775252 (E_RNA)
where:
Base-Base interactions energy: -382.961
where: short stacking energy: -153.265
Base-Backbone interact. energy: -0.046
local terms energy: -173.768189
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -37.528
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -47.700
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -547.096497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.096497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.375082 (E_RNA)
where:
Base-Base interactions energy: -372.636
where: short stacking energy: -155.921
Base-Backbone interact. energy: 1.532
local terms energy: -176.271432
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -39.015
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -44.596
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: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -543.181884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.181884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.235272 (E_RNA)
where:
Base-Base interactions energy: -367.943
where: short stacking energy: -137.348
Base-Backbone interact. energy: -2.398
local terms energy: -172.893993
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -35.717
flat angles C4'-P-C4' energy: -38.898
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -46.236
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: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -532.388412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.388412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.846378 (E_RNA)
where:
Base-Base interactions energy: -375.256
where: short stacking energy: -149.153
Base-Backbone interact. energy: -0.686
local terms energy: -157.904159
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -41.742
Dist. restrs. and SS energy: 1.458 (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: 484
Temperature: 1.100000
Total energy: -509.640396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.640396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.843731 (E_RNA)
where:
Base-Base interactions energy: -350.936
where: short stacking energy: -135.437
Base-Backbone interact. energy: 0.751
local terms energy: -159.659110
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -37.838
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: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -482.071495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.071495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.580402 (E_RNA)
where:
Base-Base interactions energy: -324.756
where: short stacking energy: -138.360
Base-Backbone interact. energy: -1.669
local terms energy: -156.155085
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -38.008
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: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -467.529323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.529323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.438727 (E_RNA)
where:
Base-Base interactions energy: -322.470
where: short stacking energy: -135.055
Base-Backbone interact. energy: -0.299
local terms energy: -145.669326
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -40.212
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: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -437.355769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.355769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.866441 (E_RNA)
where:
Base-Base interactions energy: -295.503
where: short stacking energy: -112.276
Base-Backbone interact. energy: -0.380
local terms energy: -141.983747
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -32.604
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -432.952188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.952188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.611130 (E_RNA)
where:
Base-Base interactions energy: -308.402
where: short stacking energy: -117.093
Base-Backbone interact. energy: -1.133
local terms energy: -124.076204
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -29.736
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: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -391.405539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.405539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.364510 (E_RNA)
where:
Base-Base interactions energy: -270.305
where: short stacking energy: -109.993
Base-Backbone interact. energy: -0.864
local terms energy: -122.195044
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 1.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -547.114079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.114079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.357822 (E_RNA)
where:
Base-Base interactions energy: -375.736
where: short stacking energy: -150.285
Base-Backbone interact. energy: -0.355
local terms energy: -171.266799
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -44.909
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -546.647501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.647501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.838626 (E_RNA)
where:
Base-Base interactions energy: -375.941
where: short stacking energy: -143.369
Base-Backbone interact. energy: -2.794
local terms energy: -168.103315
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -42.282
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: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -525.175618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.175618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.238171 (E_RNA)
where:
Base-Base interactions energy: -367.570
where: short stacking energy: -145.719
Base-Backbone interact. energy: -0.612
local terms energy: -157.055353
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -33.974
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -36.713
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -513.520719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.875685 (E_RNA)
where:
Base-Base interactions energy: -352.984
where: short stacking energy: -140.629
Base-Backbone interact. energy: -0.971
local terms energy: -159.920168
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -43.828
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: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -515.366977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.366977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.386689 (E_RNA)
where:
Base-Base interactions energy: -354.083
where: short stacking energy: -144.095
Base-Backbone interact. energy: -0.514
local terms energy: -161.788861
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 1.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -475.100145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.100145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.751807 (E_RNA)
where:
Base-Base interactions energy: -323.774
where: short stacking energy: -123.483
Base-Backbone interact. energy: -2.219
local terms energy: -149.759409
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -31.834
Dist. restrs. and SS energy: 0.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -476.365732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.365732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.989980 (E_RNA)
where:
Base-Base interactions energy: -336.319
where: short stacking energy: -138.279
Base-Backbone interact. energy: -0.120
local terms energy: -140.551351
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -40.549
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -450.581459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.581459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.418435 (E_RNA)
where:
Base-Base interactions energy: -320.270
where: short stacking energy: -124.746
Base-Backbone interact. energy: -0.635
local terms energy: -130.513855
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -424.390193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.390193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.006747 (E_RNA)
where:
Base-Base interactions energy: -303.066
where: short stacking energy: -114.152
Base-Backbone interact. energy: -0.268
local terms energy: -121.673500
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -29.184
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: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -414.543037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.543037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.874858 (E_RNA)
where:
Base-Base interactions energy: -300.253
where: short stacking energy: -113.564
Base-Backbone interact. energy: 4.855
local terms energy: -119.477103
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -23.973
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: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -543.928376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.928376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.119360 (E_RNA)
where:
Base-Base interactions energy: -383.984
where: short stacking energy: -158.908
Base-Backbone interact. energy: -1.200
local terms energy: -158.935880
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -29.179
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -47.553
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -550.016585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.016585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.201415 (E_RNA)
where:
Base-Base interactions energy: -379.169
where: short stacking energy: -154.935
Base-Backbone interact. energy: 0.147
local terms energy: -171.179388
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -44.446
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: 486
Temperature: 1.000000
Total energy: -539.139994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.139994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.292978 (E_RNA)
where:
Base-Base interactions energy: -373.088
where: short stacking energy: -154.456
Base-Backbone interact. energy: -0.829
local terms energy: -165.376253
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -44.669
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -510.130006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.130006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.464961 (E_RNA)
where:
Base-Base interactions energy: -347.744
where: short stacking energy: -142.278
Base-Backbone interact. energy: 1.470
local terms energy: -165.191165
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -36.314
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -41.923
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -505.692546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.692546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.122418 (E_RNA)
where:
Base-Base interactions energy: -342.992
where: short stacking energy: -142.116
Base-Backbone interact. energy: -0.538
local terms energy: -163.592287
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 1.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -487.587144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.587144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.060793 (E_RNA)
where:
Base-Base interactions energy: -332.167
where: short stacking energy: -137.574
Base-Backbone interact. energy: -0.962
local terms energy: -154.931827
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -30.604
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -470.818643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.818643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.695863 (E_RNA)
where:
Base-Base interactions energy: -321.481
where: short stacking energy: -125.263
Base-Backbone interact. energy: -0.506
local terms energy: -149.708708
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -33.054
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -40.621
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -430.119375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.119375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.309242 (E_RNA)
where:
Base-Base interactions energy: -302.663
where: short stacking energy: -108.767
Base-Backbone interact. energy: -0.489
local terms energy: -127.156437
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -33.933
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: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -429.715460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.715460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.058676 (E_RNA)
where:
Base-Base interactions energy: -295.609
where: short stacking energy: -114.030
Base-Backbone interact. energy: -0.077
local terms energy: -134.372958
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -33.966
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: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -414.134081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.134081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.608198 (E_RNA)
where:
Base-Base interactions energy: -291.665
where: short stacking energy: -119.107
Base-Backbone interact. energy: 1.126
local terms energy: -124.069538
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -25.995
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: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -549.031817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.031817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.151146 (E_RNA)
where:
Base-Base interactions energy: -368.295
where: short stacking energy: -158.476
Base-Backbone interact. energy: -1.238
local terms energy: -179.618792
where:
bonds (distance) C4'-P energy: -31.223
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -42.603
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -540.260948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.721981 (E_RNA)
where:
Base-Base interactions energy: -363.951
where: short stacking energy: -151.258
Base-Backbone interact. energy: -0.548
local terms energy: -176.222532
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -44.618
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: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -526.964656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.964656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.409147 (E_RNA)
where:
Base-Base interactions energy: -362.422
where: short stacking energy: -141.868
Base-Backbone interact. energy: -0.238
local terms energy: -164.748395
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -39.567
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: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -511.533316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.533316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.205895 (E_RNA)
where:
Base-Base interactions energy: -347.266
where: short stacking energy: -131.187
Base-Backbone interact. energy: -0.330
local terms energy: -165.609737
where:
bonds (distance) C4'-P energy: -33.803
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -43.918
Dist. restrs. and SS energy: 1.673 (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: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -503.782674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.782674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.942328 (E_RNA)
where:
Base-Base interactions energy: -341.767
where: short stacking energy: -140.184
Base-Backbone interact. energy: -0.725
local terms energy: -161.449809
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -42.723
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -490.279741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.279741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.450993 (E_RNA)
where:
Base-Base interactions energy: -339.032
where: short stacking energy: -133.844
Base-Backbone interact. energy: -1.186
local terms energy: -150.233120
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -41.218
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: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -457.479916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.479916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.724049 (E_RNA)
where:
Base-Base interactions energy: -319.828
where: short stacking energy: -128.544
Base-Backbone interact. energy: -0.362
local terms energy: -137.534566
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -28.711
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: 487
Temperature: 1.250000
Total energy: -440.356345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.356345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.877296 (E_RNA)
where:
Base-Base interactions energy: -312.064
where: short stacking energy: -126.459
Base-Backbone interact. energy: -1.064
local terms energy: -127.749205
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -32.655
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: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -432.775285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.775285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.158408 (E_RNA)
where:
Base-Base interactions energy: -298.363
where: short stacking energy: -116.890
Base-Backbone interact. energy: -0.607
local terms energy: -134.189007
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -34.111
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -29.520
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -420.704330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.704330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.859036 (E_RNA)
where:
Base-Base interactions energy: -301.178
where: short stacking energy: -108.224
Base-Backbone interact. energy: -0.996
local terms energy: -118.684227
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -30.696
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -553.672815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.672815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.850581 (E_RNA)
where:
Base-Base interactions energy: -373.549
where: short stacking energy: -156.499
Base-Backbone interact. energy: -1.742
local terms energy: -178.558809
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -36.599
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -44.045
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -544.862029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.862029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.029366 (E_RNA)
where:
Base-Base interactions energy: -371.997
where: short stacking energy: -158.219
Base-Backbone interact. energy: -0.632
local terms energy: -172.400217
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -39.467
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -45.046
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -521.675542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.675542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.726107 (E_RNA)
where:
Base-Base interactions energy: -363.717
where: short stacking energy: -136.186
Base-Backbone interact. energy: -0.880
local terms energy: -157.129527
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -34.795
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -41.474
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -520.503408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.503408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.999760 (E_RNA)
where:
Base-Base interactions energy: -360.872
where: short stacking energy: -150.466
Base-Backbone interact. energy: -0.243
local terms energy: -159.884744
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -40.942
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: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -489.396801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.396801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.652639 (E_RNA)
where:
Base-Base interactions energy: -333.785
where: short stacking energy: -136.857
Base-Backbone interact. energy: -0.673
local terms energy: -155.193789
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -34.393
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -38.951
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: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -483.158155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.158155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.518393 (E_RNA)
where:
Base-Base interactions energy: -341.693
where: short stacking energy: -129.967
Base-Backbone interact. energy: -0.494
local terms energy: -141.330903
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -34.159
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -451.302585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.302585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.764818 (E_RNA)
where:
Base-Base interactions energy: -311.448
where: short stacking energy: -124.984
Base-Backbone interact. energy: 0.490
local terms energy: -140.806785
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -33.466
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -458.791796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.791796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.241781 (E_RNA)
where:
Base-Base interactions energy: -327.591
where: short stacking energy: -130.479
Base-Backbone interact. energy: -0.767
local terms energy: -130.884355
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -33.432
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -461.893468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.893468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.070399 (E_RNA)
where:
Base-Base interactions energy: -332.685
where: short stacking energy: -128.662
Base-Backbone interact. energy: -1.541
local terms energy: -127.844309
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -425.891302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.891302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.236328 (E_RNA)
where:
Base-Base interactions energy: -302.572
where: short stacking energy: -114.984
Base-Backbone interact. energy: -0.206
local terms energy: -123.457886
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -28.433
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -30.603
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: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -550.412847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.412847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.954973 (E_RNA)
where:
Base-Base interactions energy: -380.321
where: short stacking energy: -147.587
Base-Backbone interact. energy: -0.560
local terms energy: -170.074314
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -42.110
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -548.750337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.750337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.242116 (E_RNA)
where:
Base-Base interactions energy: -374.920
where: short stacking energy: -160.180
Base-Backbone interact. energy: 0.441
local terms energy: -174.762940
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -46.470
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: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -526.793265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.793265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.986383 (E_RNA)
where:
Base-Base interactions energy: -360.283
where: short stacking energy: -148.120
Base-Backbone interact. energy: -0.810
local terms energy: -165.893836
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -43.236
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: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -521.248754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.248754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.700453 (E_RNA)
where:
Base-Base interactions energy: -364.114
where: short stacking energy: -149.619
Base-Backbone interact. energy: -0.146
local terms energy: -157.441099
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -49.220
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -498.855766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.855766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.105564 (E_RNA)
where:
Base-Base interactions energy: -352.678
where: short stacking energy: -138.107
Base-Backbone interact. energy: -0.679
local terms energy: -145.748786
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -32.856
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -40.379
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: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -470.252453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.252453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.619867 (E_RNA)
where:
Base-Base interactions energy: -316.344
where: short stacking energy: -126.497
Base-Backbone interact. energy: -0.181
local terms energy: -154.094156
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -36.825
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: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -489.299187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.299187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.496006 (E_RNA)
where:
Base-Base interactions energy: -347.391
where: short stacking energy: -149.988
Base-Backbone interact. energy: -0.461
local terms energy: -141.644277
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -43.789
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: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -447.056106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.056106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.346191 (E_RNA)
where:
Base-Base interactions energy: -303.945
where: short stacking energy: -117.983
Base-Backbone interact. energy: -2.463
local terms energy: -140.938689
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -33.639
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: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -441.365211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.365211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.375338 (E_RNA)
where:
Base-Base interactions energy: -316.615
where: short stacking energy: -115.544
Base-Backbone interact. energy: 2.096
local terms energy: -127.856895
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -32.128
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 1.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -436.996180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.996180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.426997 (E_RNA)
where:
Base-Base interactions energy: -306.227
where: short stacking energy: -123.678
Base-Backbone interact. energy: -0.630
local terms energy: -130.570525
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -543.225214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.225214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.413147 (E_RNA)
where:
Base-Base interactions energy: -371.928
where: short stacking energy: -160.766
Base-Backbone interact. energy: -1.005
local terms energy: -170.480576
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -43.288
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: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -526.537533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.537533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.960941 (E_RNA)
where:
Base-Base interactions energy: -362.578
where: short stacking energy: -143.621
Base-Backbone interact. energy: -1.030
local terms energy: -163.353511
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -37.698
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -518.438086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.438086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.587725 (E_RNA)
where:
Base-Base interactions energy: -358.516
where: short stacking energy: -142.324
Base-Backbone interact. energy: -0.779
local terms energy: -159.293303
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -35.232
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: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -509.773762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.773762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.479242 (E_RNA)
where:
Base-Base interactions energy: -346.520
where: short stacking energy: -143.874
Base-Backbone interact. energy: -2.511
local terms energy: -161.448215
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -41.624
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -504.834215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.834215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.272804 (E_RNA)
where:
Base-Base interactions energy: -341.632
where: short stacking energy: -139.829
Base-Backbone interact. energy: -0.567
local terms energy: -163.073943
where:
bonds (distance) C4'-P energy: -31.619
bonds (distance) P-C4' energy: -30.815
flat angles C4'-P-C4' energy: -39.843
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -39.037
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: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -467.916015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.180814 (E_RNA)
where:
Base-Base interactions energy: -311.486
where: short stacking energy: -118.642
Base-Backbone interact. energy: -0.470
local terms energy: -156.225381
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -35.198
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -29.875
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: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -481.688454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.688454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.566777 (E_RNA)
where:
Base-Base interactions energy: -328.100
where: short stacking energy: -141.056
Base-Backbone interact. energy: 0.019
local terms energy: -155.485963
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -41.111
Dist. restrs. and SS energy: 1.878 (S_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: 490
Temperature: 1.250000
Total energy: -440.087179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.087179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.798597 (E_RNA)
where:
Base-Base interactions energy: -293.659
where: short stacking energy: -108.933
Base-Backbone interact. energy: 0.253
local terms energy: -147.392873
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -32.515
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: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -437.957324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.957324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.476977 (E_RNA)
where:
Base-Base interactions energy: -299.398
where: short stacking energy: -112.925
Base-Backbone interact. energy: -1.109
local terms energy: -138.969926
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 1.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -432.566358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.566358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.080085 (E_RNA)
where:
Base-Base interactions energy: -312.091
where: short stacking energy: -122.180
Base-Backbone interact. energy: -0.619
local terms energy: -120.369569
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -29.481
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: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -556.073174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.073174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.347466 (E_RNA)
where:
Base-Base interactions energy: -372.433
where: short stacking energy: -157.204
Base-Backbone interact. energy: -0.689
local terms energy: -183.225317
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -48.034
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -551.531654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.531654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.013909 (E_RNA)
where:
Base-Base interactions energy: -381.596
where: short stacking energy: -160.127
Base-Backbone interact. energy: -1.136
local terms energy: -169.281609
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -44.884
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: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -534.135546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.135546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.356032 (E_RNA)
where:
Base-Base interactions energy: -361.019
where: short stacking energy: -144.594
Base-Backbone interact. energy: -1.837
local terms energy: -171.500220
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -42.950
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: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -516.940099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.940099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.110328 (E_RNA)
where:
Base-Base interactions energy: -359.733
where: short stacking energy: -148.945
Base-Backbone interact. energy: -0.085
local terms energy: -157.292553
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -47.932
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: 491
Temperature: 1.100000
Total energy: -495.916214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.916214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.145925 (E_RNA)
where:
Base-Base interactions energy: -337.591
where: short stacking energy: -146.508
Base-Backbone interact. energy: 4.909
local terms energy: -163.463899
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -42.124
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -507.300856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.300856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.799372 (E_RNA)
where:
Base-Base interactions energy: -352.618
where: short stacking energy: -154.612
Base-Backbone interact. energy: -1.768
local terms energy: -153.413146
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -41.677
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: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -445.252206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.252206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.760684 (E_RNA)
where:
Base-Base interactions energy: -300.379
where: short stacking energy: -120.606
Base-Backbone interact. energy: -0.210
local terms energy: -145.171729
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -35.132
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -449.235448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.235448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.612799 (E_RNA)
where:
Base-Base interactions energy: -295.556
where: short stacking energy: -123.686
Base-Backbone interact. energy: -0.713
local terms energy: -153.343548
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -39.922
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -430.947027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.947027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.372790 (E_RNA)
where:
Base-Base interactions energy: -297.698
where: short stacking energy: -127.512
Base-Backbone interact. energy: 0.480
local terms energy: -134.155120
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -31.870
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: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -427.505710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.505710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.865463 (E_RNA)
where:
Base-Base interactions energy: -293.663
where: short stacking energy: -111.415
Base-Backbone interact. energy: 1.265
local terms energy: -135.468321
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -27.240
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: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -558.047769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.047769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.553833 (E_RNA)
where:
Base-Base interactions energy: -377.148
where: short stacking energy: -156.907
Base-Backbone interact. energy: -0.569
local terms energy: -180.836821
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -40.778
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -45.124
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: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -551.380066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.380066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.703011 (E_RNA)
where:
Base-Base interactions energy: -367.673
where: short stacking energy: -168.417
Base-Backbone interact. energy: -0.345
local terms energy: -183.685653
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -47.417
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -526.353628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.353628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.415854 (E_RNA)
where:
Base-Base interactions energy: -350.145
where: short stacking energy: -134.551
Base-Backbone interact. energy: -2.139
local terms energy: -174.131498
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -43.419
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: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -497.510455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.510455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.948564 (E_RNA)
where:
Base-Base interactions energy: -342.001
where: short stacking energy: -137.552
Base-Backbone interact. energy: 1.526
local terms energy: -157.473866
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -33.475
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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -511.185082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.185082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.518270 (E_RNA)
where:
Base-Base interactions energy: -352.909
where: short stacking energy: -136.609
Base-Backbone interact. energy: -1.286
local terms energy: -157.324023
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -38.943
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -480.413526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.413526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.749538 (E_RNA)
where:
Base-Base interactions energy: -330.507
where: short stacking energy: -132.200
Base-Backbone interact. energy: -0.420
local terms energy: -150.822350
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -41.009
Dist. restrs. and SS energy: 1.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -463.452501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.452501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.629550 (E_RNA)
where:
Base-Base interactions energy: -314.647
where: short stacking energy: -119.356
Base-Backbone interact. energy: 0.257
local terms energy: -149.239720
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -36.278
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: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -446.316646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.645976 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -113.255
Base-Backbone interact. energy: -0.204
local terms energy: -141.004666
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -35.049
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -441.456593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.456593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.948163 (E_RNA)
where:
Base-Base interactions energy: -309.377
where: short stacking energy: -116.991
Base-Backbone interact. energy: -1.781
local terms energy: -131.791122
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -30.825
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -434.850212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.850212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.226508 (E_RNA)
where:
Base-Base interactions energy: -309.431
where: short stacking energy: -119.572
Base-Backbone interact. energy: 0.590
local terms energy: -126.385821
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -32.726
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: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -543.541817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.541817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.759841 (E_RNA)
where:
Base-Base interactions energy: -375.390
where: short stacking energy: -141.664
Base-Backbone interact. energy: -1.270
local terms energy: -167.099232
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -36.251
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: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -538.617234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.617234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.733409 (E_RNA)
where:
Base-Base interactions energy: -373.658
where: short stacking energy: -166.374
Base-Backbone interact. energy: 0.185
local terms energy: -165.259910
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -40.981
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -530.610695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.610695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.868290 (E_RNA)
where:
Base-Base interactions energy: -364.748
where: short stacking energy: -146.048
Base-Backbone interact. energy: -2.022
local terms energy: -164.098008
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -37.399
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: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -519.134018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.134018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.521673 (E_RNA)
where:
Base-Base interactions energy: -374.857
where: short stacking energy: -142.524
Base-Backbone interact. energy: -0.434
local terms energy: -144.230196
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -40.710
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -502.865619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.865619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.020466 (E_RNA)
where:
Base-Base interactions energy: -340.474
where: short stacking energy: -143.050
Base-Backbone interact. energy: -0.709
local terms energy: -161.837744
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -36.161
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -469.703958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.703958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.045992 (E_RNA)
where:
Base-Base interactions energy: -317.763
where: short stacking energy: -129.684
Base-Backbone interact. energy: -0.954
local terms energy: -151.328861
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -37.646
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -39.167
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: 493
Temperature: 1.200000
Total energy: -477.680928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.680928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.015368 (E_RNA)
where:
Base-Base interactions energy: -336.778
where: short stacking energy: -139.968
Base-Backbone interact. energy: 2.440
local terms energy: -143.677389
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -40.221
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: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -457.423534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.423534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.723254 (E_RNA)
where:
Base-Base interactions energy: -319.190
where: short stacking energy: -118.932
Base-Backbone interact. energy: -0.512
local terms energy: -139.021550
where:
bonds (distance) C4'-P energy: -30.415
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -35.058
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -423.509244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.509244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.435027 (E_RNA)
where:
Base-Base interactions energy: -301.203
where: short stacking energy: -113.592
Base-Backbone interact. energy: -0.470
local terms energy: -125.762209
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -30.390
Dist. restrs. and SS energy: 3.926 (S_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: 493
Temperature: 1.350000
Total energy: -437.933441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.933441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.053167 (E_RNA)
where:
Base-Base interactions energy: -309.905
where: short stacking energy: -118.770
Base-Backbone interact. energy: 1.128
local terms energy: -131.276026
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 2.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -544.205717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.205717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.351441 (E_RNA)
where:
Base-Base interactions energy: -376.473
where: short stacking energy: -142.541
Base-Backbone interact. energy: 1.232
local terms energy: -169.110303
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -39.929
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -536.982899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.982899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.206731 (E_RNA)
where:
Base-Base interactions energy: -369.208
where: short stacking energy: -153.479
Base-Backbone interact. energy: -1.046
local terms energy: -166.952261
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -43.983
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: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -538.894346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.894346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.166595 (E_RNA)
where:
Base-Base interactions energy: -371.318
where: short stacking energy: -146.546
Base-Backbone interact. energy: 1.386
local terms energy: -169.234501
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -46.589
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: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -521.214625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.214625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.051190 (E_RNA)
where:
Base-Base interactions energy: -360.941
where: short stacking energy: -152.329
Base-Backbone interact. energy: -1.043
local terms energy: -160.067512
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -34.798
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -44.477
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -499.552576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.552576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.649188 (E_RNA)
where:
Base-Base interactions energy: -343.783
where: short stacking energy: -128.016
Base-Backbone interact. energy: 3.240
local terms energy: -159.105900
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -33.884
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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -462.173622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.173622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.452758 (E_RNA)
where:
Base-Base interactions energy: -323.705
where: short stacking energy: -127.095
Base-Backbone interact. energy: 1.355
local terms energy: -140.102092
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -37.785
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: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -489.338204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.338204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.506232 (E_RNA)
where:
Base-Base interactions energy: -343.322
where: short stacking energy: -144.632
Base-Backbone interact. energy: 0.240
local terms energy: -146.423649
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -42.474
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: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -452.473887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.473887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.712616 (E_RNA)
where:
Base-Base interactions energy: -315.376
where: short stacking energy: -125.641
Base-Backbone interact. energy: -0.431
local terms energy: -137.905728
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -443.270008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.270008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.635788 (E_RNA)
where:
Base-Base interactions energy: -305.325
where: short stacking energy: -121.519
Base-Backbone interact. energy: 2.678
local terms energy: -140.988373
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -421.152973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.152973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.129449 (E_RNA)
where:
Base-Base interactions energy: -307.457
where: short stacking energy: -114.130
Base-Backbone interact. energy: -1.180
local terms energy: -114.492458
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -31.861
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -551.696639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.696639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.820453 (E_RNA)
where:
Base-Base interactions energy: -373.074
where: short stacking energy: -161.682
Base-Backbone interact. energy: 0.048
local terms energy: -178.794998
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -43.067
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: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -541.348143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.348143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.566452 (E_RNA)
where:
Base-Base interactions energy: -383.869
where: short stacking energy: -153.937
Base-Backbone interact. energy: -0.763
local terms energy: -156.934289
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -44.712
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: 495
Temperature: 1.000000
Total energy: -530.006294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.006294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.258260 (E_RNA)
where:
Base-Base interactions energy: -363.452
where: short stacking energy: -161.014
Base-Backbone interact. energy: 0.160
local terms energy: -166.965501
where:
bonds (distance) C4'-P energy: -31.396
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -42.250
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: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -511.219265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.219265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.706401 (E_RNA)
where:
Base-Base interactions energy: -355.006
where: short stacking energy: -136.636
Base-Backbone interact. energy: -1.279
local terms energy: -155.421161
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -42.381
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: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -492.799830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.799830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.041758 (E_RNA)
where:
Base-Base interactions energy: -337.593
where: short stacking energy: -141.715
Base-Backbone interact. energy: -0.623
local terms energy: -154.825699
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -36.501
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -477.833205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.833205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.148862 (E_RNA)
where:
Base-Base interactions energy: -338.506
where: short stacking energy: -144.527
Base-Backbone interact. energy: -0.502
local terms energy: -139.140971
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -35.542
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -489.198844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.198844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.957457 (E_RNA)
where:
Base-Base interactions energy: -326.675
where: short stacking energy: -130.688
Base-Backbone interact. energy: -2.094
local terms energy: -161.188298
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -36.544
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -37.695
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: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -458.235018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.235018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.353010 (E_RNA)
where:
Base-Base interactions energy: -315.649
where: short stacking energy: -130.765
Base-Backbone interact. energy: 0.371
local terms energy: -143.075907
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -32.607
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: 495
Temperature: 1.300000
Total energy: -444.661636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.661636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.593047 (E_RNA)
where:
Base-Base interactions energy: -298.864
where: short stacking energy: -115.020
Base-Backbone interact. energy: 2.429
local terms energy: -149.157591
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -40.197
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -411.616588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.616588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.420596 (E_RNA)
where:
Base-Base interactions energy: -294.646
where: short stacking energy: -106.613
Base-Backbone interact. energy: -0.607
local terms energy: -117.166693
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -27.940
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: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -552.917427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.917427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.220384 (E_RNA)
where:
Base-Base interactions energy: -379.828
where: short stacking energy: -152.832
Base-Backbone interact. energy: -0.589
local terms energy: -172.803410
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -46.737
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: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -540.316478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.316478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.441316 (E_RNA)
where:
Base-Base interactions energy: -375.931
where: short stacking energy: -149.077
Base-Backbone interact. energy: -0.883
local terms energy: -163.627199
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -37.684
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -46.424
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: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -522.973892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.973892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.732997 (E_RNA)
where:
Base-Base interactions energy: -359.671
where: short stacking energy: -141.416
Base-Backbone interact. energy: -0.775
local terms energy: -163.286195
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -34.564
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -41.895
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: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -512.150439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.150439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.629095 (E_RNA)
where:
Base-Base interactions energy: -351.542
where: short stacking energy: -148.254
Base-Backbone interact. energy: -0.888
local terms energy: -160.198962
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -38.749
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: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -510.495879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.495879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.747103 (E_RNA)
where:
Base-Base interactions energy: -351.478
where: short stacking energy: -144.643
Base-Backbone interact. energy: -1.674
local terms energy: -157.595545
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -38.164
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -41.888
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: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -487.519170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.519170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.626964 (E_RNA)
where:
Base-Base interactions energy: -343.268
where: short stacking energy: -133.138
Base-Backbone interact. energy: -1.330
local terms energy: -144.028912
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -37.297
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -465.216628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.431501 (E_RNA)
where:
Base-Base interactions energy: -315.776
where: short stacking energy: -125.320
Base-Backbone interact. energy: -1.501
local terms energy: -149.155431
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -35.519
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -478.346371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.346371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.730179 (E_RNA)
where:
Base-Base interactions energy: -338.261
where: short stacking energy: -140.638
Base-Backbone interact. energy: -1.074
local terms energy: -139.395661
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -37.990
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: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -438.425637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.425637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.240736 (E_RNA)
where:
Base-Base interactions energy: -295.282
where: short stacking energy: -102.897
Base-Backbone interact. energy: -1.345
local terms energy: -142.614217
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -34.037
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: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -423.446096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.446096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.676604 (E_RNA)
where:
Base-Base interactions energy: -293.273
where: short stacking energy: -114.359
Base-Backbone interact. energy: -1.728
local terms energy: -128.676331
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -27.825
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: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -560.433565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.433565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817074 (E_RNA)
where:
Base-Base interactions energy: -386.594
where: short stacking energy: -168.442
Base-Backbone interact. energy: -0.465
local terms energy: -173.758307
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -48.089
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -532.569112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.569112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.810976 (E_RNA)
where:
Base-Base interactions energy: -358.288
where: short stacking energy: -145.774
Base-Backbone interact. energy: -0.613
local terms energy: -173.909925
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -45.665
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: 497
Temperature: 1.000000
Total energy: -523.700133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.700133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.788579 (E_RNA)
where:
Base-Base interactions energy: -357.198
where: short stacking energy: -141.331
Base-Backbone interact. energy: -0.990
local terms energy: -167.600930
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -505.252690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.252690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.325890 (E_RNA)
where:
Base-Base interactions energy: -346.945
where: short stacking energy: -145.508
Base-Backbone interact. energy: -0.294
local terms energy: -158.086839
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -36.256
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: 497
Temperature: 1.100000
Total energy: -505.586559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.586559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.316270 (E_RNA)
where:
Base-Base interactions energy: -350.096
where: short stacking energy: -156.429
Base-Backbone interact. energy: 0.225
local terms energy: -156.445454
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -43.886
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -486.941416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.941416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.316902 (E_RNA)
where:
Base-Base interactions energy: -330.880
where: short stacking energy: -134.480
Base-Backbone interact. energy: -1.051
local terms energy: -155.386323
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -40.194
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: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -473.618761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.618761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.371702 (E_RNA)
where:
Base-Base interactions energy: -322.314
where: short stacking energy: -139.276
Base-Backbone interact. energy: -0.772
local terms energy: -151.286234
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -40.705
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -467.068409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.068409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.293859 (E_RNA)
where:
Base-Base interactions energy: -328.750
where: short stacking energy: -127.258
Base-Backbone interact. energy: -0.356
local terms energy: -138.188432
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -35.671
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: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -444.548230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.548230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.477275 (E_RNA)
where:
Base-Base interactions energy: -309.419
where: short stacking energy: -123.244
Base-Backbone interact. energy: -0.691
local terms energy: -135.367369
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -28.866
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: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -411.880355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.880355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.135196 (E_RNA)
where:
Base-Base interactions energy: -290.422
where: short stacking energy: -110.242
Base-Backbone interact. energy: -0.891
local terms energy: -120.821951
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -29.346
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -543.424056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.424056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.513658 (E_RNA)
where:
Base-Base interactions energy: -373.980
where: short stacking energy: -150.664
Base-Backbone interact. energy: -1.319
local terms energy: -168.214545
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -43.161
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -544.920204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.920204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.804342 (E_RNA)
where:
Base-Base interactions energy: -371.714
where: short stacking energy: -153.520
Base-Backbone interact. energy: -1.067
local terms energy: -173.023902
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -48.274
Dist. restrs. and SS energy: 0.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -525.204626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.204626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.596535 (E_RNA)
where:
Base-Base interactions energy: -371.934
where: short stacking energy: -156.457
Base-Backbone interact. energy: 0.334
local terms energy: -153.996152
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -40.057
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: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -508.084659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.084659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.401181 (E_RNA)
where:
Base-Base interactions energy: -344.884
where: short stacking energy: -145.106
Base-Backbone interact. energy: 0.171
local terms energy: -163.688039
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -41.585
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: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -507.602393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.602393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.919217 (E_RNA)
where:
Base-Base interactions energy: -355.171
where: short stacking energy: -139.994
Base-Backbone interact. energy: -0.727
local terms energy: -152.020893
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -44.084
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: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -477.524106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.524106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.692980 (E_RNA)
where:
Base-Base interactions energy: -328.816
where: short stacking energy: -130.994
Base-Backbone interact. energy: -0.664
local terms energy: -148.213505
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -35.130
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: 498
Temperature: 1.200000
Total energy: -470.243659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.243659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.727432 (E_RNA)
where:
Base-Base interactions energy: -330.448
where: short stacking energy: -129.661
Base-Backbone interact. energy: -1.075
local terms energy: -139.203830
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -35.466
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: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -463.794715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.794715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.657744 (E_RNA)
where:
Base-Base interactions energy: -326.117
where: short stacking energy: -129.213
Base-Backbone interact. energy: 1.278
local terms energy: -139.818732
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -34.059
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -424.514807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.514807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.910206 (E_RNA)
where:
Base-Base interactions energy: -301.681
where: short stacking energy: -116.693
Base-Backbone interact. energy: 0.176
local terms energy: -123.405402
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -31.272
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: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -439.898580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.898580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.892582 (E_RNA)
where:
Base-Base interactions energy: -305.285
where: short stacking energy: -123.466
Base-Backbone interact. energy: -1.153
local terms energy: -134.454629
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -35.822
Dist. restrs. and SS energy: 0.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -539.037944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.037944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.839198 (E_RNA)
where:
Base-Base interactions energy: -368.344
where: short stacking energy: -147.934
Base-Backbone interact. energy: -0.265
local terms energy: -171.230542
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -37.221
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -42.203
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: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -538.464698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.464698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.849124 (E_RNA)
where:
Base-Base interactions energy: -375.503
where: short stacking energy: -146.675
Base-Backbone interact. energy: -1.139
local terms energy: -162.207006
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -42.773
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: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -533.921346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.921346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.543768 (E_RNA)
where:
Base-Base interactions energy: -375.971
where: short stacking energy: -159.158
Base-Backbone interact. energy: -1.019
local terms energy: -157.554571
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -46.719
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: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -511.402761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.402761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.498477 (E_RNA)
where:
Base-Base interactions energy: -350.409
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.534
local terms energy: -160.555380
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -41.986
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: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -505.198969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.198969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.310391 (E_RNA)
where:
Base-Base interactions energy: -363.593
where: short stacking energy: -141.495
Base-Backbone interact. energy: 1.809
local terms energy: -143.526664
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -497.691654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.691654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.838028 (E_RNA)
where:
Base-Base interactions energy: -341.491
where: short stacking energy: -131.119
Base-Backbone interact. energy: -0.848
local terms energy: -155.499436
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -42.816
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: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -466.174137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.174137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.239199 (E_RNA)
where:
Base-Base interactions energy: -321.715
where: short stacking energy: -109.142
Base-Backbone interact. energy: -0.460
local terms energy: -145.064572
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -33.127
Dist. restrs. and SS energy: 1.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -494.388807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.388807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.524847 (E_RNA)
where:
Base-Base interactions energy: -349.244
where: short stacking energy: -140.239
Base-Backbone interact. energy: 1.270
local terms energy: -146.550373
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -32.069
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -40.375
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -440.043380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.043380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.722345 (E_RNA)
where:
Base-Base interactions energy: -304.838
where: short stacking energy: -115.268
Base-Backbone interact. energy: -0.967
local terms energy: -134.917698
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -26.974
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: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -430.594839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.594839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.844253 (E_RNA)
where:
Base-Base interactions energy: -302.576
where: short stacking energy: -125.264
Base-Backbone interact. energy: -1.346
local terms energy: -126.922103
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -32.672
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)
out arg RESULTS//1/AKR1B10_336_wt-84ba688c_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: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -548.724917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.724917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.015271 (E_RNA)
where:
Base-Base interactions energy: -380.957
where: short stacking energy: -144.318
Base-Backbone interact. energy: -0.114
local terms energy: -167.945213
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -38.897
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -526.135532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.135532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.806440 (E_RNA)
where:
Base-Base interactions energy: -363.314
where: short stacking energy: -151.603
Base-Backbone interact. energy: -0.853
local terms energy: -162.639313
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -40.887
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -520.050151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.050151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.571367 (E_RNA)
where:
Base-Base interactions energy: -347.472
where: short stacking energy: -139.302
Base-Backbone interact. energy: 1.464
local terms energy: -174.563809
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -39.624
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: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -526.173559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.173559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.425111 (E_RNA)
where:
Base-Base interactions energy: -371.536
where: short stacking energy: -154.421
Base-Backbone interact. energy: 1.691
local terms energy: -156.580822
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -45.840
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -510.525457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.525457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.044872 (E_RNA)
where:
Base-Base interactions energy: -346.326
where: short stacking energy: -139.530
Base-Backbone interact. energy: -1.191
local terms energy: -163.527902
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -488.490104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.725044 (E_RNA)
where:
Base-Base interactions energy: -342.150
where: short stacking energy: -140.841
Base-Backbone interact. energy: -1.197
local terms energy: -145.378003
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -37.891
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -38.074
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -480.916004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.363296 (E_RNA)
where:
Base-Base interactions energy: -325.360
where: short stacking energy: -131.730
Base-Backbone interact. energy: 2.243
local terms energy: -158.246070
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -38.511
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: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -475.813647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.813647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.868215 (E_RNA)
where:
Base-Base interactions energy: -327.958
where: short stacking energy: -126.322
Base-Backbone interact. energy: -0.816
local terms energy: -147.093254
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -37.366
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -441.506262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.506262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.785945 (E_RNA)
where:
Base-Base interactions energy: -299.547
where: short stacking energy: -116.419
Base-Backbone interact. energy: -0.306
local terms energy: -141.932846
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -33.606
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: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -411.865074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.865074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.319907 (E_RNA)
where:
Base-Base interactions energy: -294.963
where: short stacking energy: -109.475
Base-Backbone interact. energy: -0.226
local terms energy: -117.131547
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -28.232
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -561.467708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.467708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.873805 (E_RNA)
where:
Base-Base interactions energy: -390.459
where: short stacking energy: -157.612
Base-Backbone interact. energy: -0.846
local terms energy: -170.568119
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -538.504376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.504376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.808035 (E_RNA)
where:
Base-Base interactions energy: -361.900
where: short stacking energy: -150.004
Base-Backbone interact. energy: -0.681
local terms energy: -176.226801
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -36.263
flat angles C4'-P-C4' energy: -41.009
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -43.492
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: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -533.490451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.490451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.018800 (E_RNA)
where:
Base-Base interactions energy: -363.358
where: short stacking energy: -149.270
Base-Backbone interact. energy: -0.340
local terms energy: -170.320691
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -42.061
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: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -501.148866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.148866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.695500 (E_RNA)
where:
Base-Base interactions energy: -348.166
where: short stacking energy: -133.041
Base-Backbone interact. energy: -0.668
local terms energy: -152.861766
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -39.285
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: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -508.572830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.572830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.938697 (E_RNA)
where:
Base-Base interactions energy: -351.564
where: short stacking energy: -141.318
Base-Backbone interact. energy: -2.225
local terms energy: -155.150195
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -44.744
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -488.688906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.688906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.747391 (E_RNA)
where:
Base-Base interactions energy: -344.335
where: short stacking energy: -136.281
Base-Backbone interact. energy: 0.011
local terms energy: -145.423414
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -38.413
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -456.008652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.008652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.547609 (E_RNA)
where:
Base-Base interactions energy: -306.202
where: short stacking energy: -124.934
Base-Backbone interact. energy: -0.623
local terms energy: -149.721883
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -41.674
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: 8, replica: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -455.379637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.379637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.875759 (E_RNA)
where:
Base-Base interactions energy: -318.852
where: short stacking energy: -120.447
Base-Backbone interact. energy: 2.315
local terms energy: -139.339346
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -35.461
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: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -439.824432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.824432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.452472 (E_RNA)
where:
Base-Base interactions energy: -302.709
where: short stacking energy: -114.418
Base-Backbone interact. energy: -0.683
local terms energy: -137.059850
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -38.518
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: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -421.853358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.853358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.977406 (E_RNA)
where:
Base-Base interactions energy: -303.038
where: short stacking energy: -109.610
Base-Backbone interact. energy: 0.859
local terms energy: -121.798882
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 28012129
moves confirmed later: 32034156
all moves confirmed: 60046285
percent of confirmed moves: 7.505786
current total energy: -492.631915
recalc. total energy: -492.631915
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 27080508
moves confirmed later: 30786684
all moves confirmed: 57867192
percent of confirmed moves: 7.233399
current total energy: -461.519413
recalc. total energy: -461.519413
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 28089216
moves confirmed later: 32188263
all moves confirmed: 60277479
percent of confirmed moves: 7.534685
current total energy: -487.431422
recalc. total energy: -487.431422
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 27369617
moves confirmed later: 31155929
all moves confirmed: 58525546
percent of confirmed moves: 7.315693
current total energy: -463.492546
recalc. total energy: -463.492546
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 28314760
moves confirmed later: 32577821
all moves confirmed: 60892581
percent of confirmed moves: 7.611573
current total energy: -421.999753
recalc. total energy: -421.999753
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 27212913
moves confirmed later: 31084333
all moves confirmed: 58297246
percent of confirmed moves: 7.287156
current total energy: -446.597458
recalc. total energy: -446.597458
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 27330801
moves confirmed later: 31147145
all moves confirmed: 58477946
percent of confirmed moves: 7.309743
current total energy: -378.864676
recalc. total energy: -378.864676
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 27646582
moves confirmed later: 31550904
all moves confirmed: 59197486
percent of confirmed moves: 7.399686
current total energy: -388.801790
recalc. total energy: -388.801790
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27143585
moves confirmed later: 30850691
all moves confirmed: 57994276
percent of confirmed moves: 7.249284
current total energy: -358.106203
recalc. total energy: -358.106203
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 28112016
moves confirmed later: 32195363
all moves confirmed: 60307379
percent of confirmed moves: 7.538422
current total energy: -320.265353
recalc. total energy: -320.265353
Time of doing 8000000 iterations: 9319.470 seconds