SimRNA (c) 2009-2024 Genesilico, ver. 3.33

.reading parameteres
before entireStruct->initialize(input)

file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-quadruplex-ba4c09b6/inputs/seq.fa first_line: R R
number of   RNA   chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-quadruplex-ba4c09b6/inputs/seq.fa: 2

curr_seq: _GGAGGAGGAGGA_
curr_seq: _UUAAAGGGGAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAGGAGGA
chainId: B, chainSeq: UUAAAGGGGAA

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 12 nucleotides
chain B contains 11 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: 125
n_atoms_counter: 125

Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
RNAStructure::tertiaryStrcWeight = 1.000000
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2 : 2 , with interaction type: GA_SHt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2 : 3 , with interaction type: GG_WHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2 : 9 , with interaction type: GG_HWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2 : 4 , with interaction type: GG_WHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2 : 10 , with interaction type: GG_HWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2 : 6 , with interaction type: GG_WHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2 : 7 , with interaction type: GG_WHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2 : 8 , with interaction type: GA_SHt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2 : 9 , with interaction type: GG_WHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2 : 10 , with interaction type: GG_WHc
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
	limiting sphere radius value: 23.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)

random seed = 1
number of iterations = 1600000
trajectory write in every 16000 iterations
initTemp  = 1.350
finalTemp = 0.900
tempStep = -2.812500e-07
DONE

.calculating
=====================================
Write number: 1

Temperature: 1.350000

Total energy: 2918.947320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: 2918.947320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -10.120430 (E_RNA)
		where:
			Base-Base interactions energy:   -2.823
			where:  short stacking energy:   -2.823 

			Base-Backbone interact. energy:   -0.000

			local  terms  energy: -86.209792
			where:
				bonds (distance)  C4'-P  energy:  -22.346
				bonds (distance)  P-C4'  energy:  -22.366
				flat angles   C4'-P-C4'  energy:  -16.887
				flat angles    P-C4'-P   energy:  -19.317
				tors. eta vs tors. theta energy:   -5.293

		Dist. restrs. and SS energy: 2929.068 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   78.912 (S_LIMSPR_RNA)
=====================================
Write number: 2

Temperature: 1.345500

Total energy: -41.833131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -41.833131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -69.347283 (E_RNA)
		where:
			Base-Base interactions energy:  -25.015
			where:  short stacking energy:  -19.194 

			Base-Backbone interact. energy:   -0.294

			local  terms  energy: -44.395496
			where:
				bonds (distance)  C4'-P  energy:  -13.454
				bonds (distance)  P-C4'  energy:  -15.858
				flat angles   C4'-P-C4'  energy:   -6.550
				flat angles    P-C4'-P   energy:   -7.579
				tors. eta vs tors. theta energy:   -0.955

		Dist. restrs. and SS energy:   27.514 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.356 (S_LIMSPR_RNA)
=====================================
Write number: 3

Temperature: 1.341000

Total energy: -78.117193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -78.117193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -93.935762 (E_RNA)
		where:
			Base-Base interactions energy:  -45.483
			where:  short stacking energy:  -37.620 

			Base-Backbone interact. energy:   -0.217

			local  terms  energy: -50.121937
			where:
				bonds (distance)  C4'-P  energy:  -13.723
				bonds (distance)  P-C4'  energy:  -15.966
				flat angles   C4'-P-C4'  energy:  -11.103
				flat angles    P-C4'-P   energy:   -0.235
				tors. eta vs tors. theta energy:   -9.094

		Dist. restrs. and SS energy:   15.819 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.886 (S_LIMSPR_RNA)
=====================================
Write number: 4

Temperature: 1.336500

Total energy: -85.296385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -85.296385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -104.240635 (E_RNA)
		where:
			Base-Base interactions energy:  -48.653
			where:  short stacking energy:  -38.184 

			Base-Backbone interact. energy:   -0.240

			local  terms  energy: -56.914669
			where:
				bonds (distance)  C4'-P  energy:  -17.950
				bonds (distance)  P-C4'  energy:  -11.405
				flat angles   C4'-P-C4'  energy:  -10.723
				flat angles    P-C4'-P   energy:  -10.225
				tors. eta vs tors. theta energy:   -6.612

		Dist. restrs. and SS energy:   18.944 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.567 (S_LIMSPR_RNA)
=====================================
Write number: 5

Temperature: 1.332000

Total energy: -85.205151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -85.205151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -101.614981 (E_RNA)
		where:
			Base-Base interactions energy:  -50.243
			where:  short stacking energy:  -41.403 

			Base-Backbone interact. energy:   -0.109

			local  terms  energy: -52.042004
			where:
				bonds (distance)  C4'-P  energy:  -11.729
				bonds (distance)  P-C4'  energy:  -14.068
				flat angles   C4'-P-C4'  energy:  -15.954
				flat angles    P-C4'-P   energy:   -5.023
				tors. eta vs tors. theta energy:   -5.268

		Dist. restrs. and SS energy:   16.410 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.780 (S_LIMSPR_RNA)
=====================================
Write number: 6

Temperature: 1.327500

Total energy: -91.769226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -91.769226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -102.338227 (E_RNA)
		where:
			Base-Base interactions energy:  -48.358
			where:  short stacking energy:  -31.769 

			Base-Backbone interact. energy:    0.360

			local  terms  energy: -55.156075
			where:
				bonds (distance)  C4'-P  energy:  -10.765
				bonds (distance)  P-C4'  energy:  -14.061
				flat angles   C4'-P-C4'  energy:  -16.537
				flat angles    P-C4'-P   energy:   -9.361
				tors. eta vs tors. theta energy:   -4.432

		Dist. restrs. and SS energy:   10.569 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.816 (S_LIMSPR_RNA)
=====================================
Write number: 7

Temperature: 1.323000

Total energy: -96.144305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -96.144305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -104.669953 (E_RNA)
		where:
			Base-Base interactions energy:  -50.024
			where:  short stacking energy:  -35.884 

			Base-Backbone interact. energy:   -0.161

			local  terms  energy: -57.027852
			where:
				bonds (distance)  C4'-P  energy:  -16.738
				bonds (distance)  P-C4'  energy:  -16.617
				flat angles   C4'-P-C4'  energy:  -11.279
				flat angles    P-C4'-P   energy:   -8.528
				tors. eta vs tors. theta energy:   -3.866

		Dist. restrs. and SS energy:    8.526 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    2.543 (S_LIMSPR_RNA)
=====================================
Write number: 8

Temperature: 1.318500

Total energy: -88.908396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -88.908396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -101.347121 (E_RNA)
		where:
			Base-Base interactions energy:  -51.444
			where:  short stacking energy:  -38.042 

			Base-Backbone interact. energy:   -0.067

			local  terms  energy: -49.836541
			where:
				bonds (distance)  C4'-P  energy:  -14.593
				bonds (distance)  P-C4'  energy:  -15.507
				flat angles   C4'-P-C4'  energy:   -9.950
				flat angles    P-C4'-P   energy:   -3.300
				tors. eta vs tors. theta energy:   -6.486

		Dist. restrs. and SS energy:   12.439 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 9

Temperature: 1.314000

Total energy: -88.785687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -88.785687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -100.565379 (E_RNA)
		where:
			Base-Base interactions energy:  -54.709
			where:  short stacking energy:  -35.169 

			Base-Backbone interact. energy:   -0.681

			local  terms  energy: -45.667937
			where:
				bonds (distance)  C4'-P  energy:  -11.040
				bonds (distance)  P-C4'  energy:  -10.651
				flat angles   C4'-P-C4'  energy:  -11.111
				flat angles    P-C4'-P   energy:   -8.143
				tors. eta vs tors. theta energy:   -4.722

		Dist. restrs. and SS energy:   11.780 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.492 (S_LIMSPR_RNA)
=====================================
Write number: 10

Temperature: 1.309500

Total energy: -91.524242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -91.524242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -100.073340 (E_RNA)
		where:
			Base-Base interactions energy:  -52.185
			where:  short stacking energy:  -32.146 

			Base-Backbone interact. energy:   -0.205

			local  terms  energy: -49.883451
			where:
				bonds (distance)  C4'-P  energy:  -13.022
				bonds (distance)  P-C4'  energy:  -15.355
				flat angles   C4'-P-C4'  energy:  -13.218
				flat angles    P-C4'-P   energy:   -4.739
				tors. eta vs tors. theta energy:   -3.550

		Dist. restrs. and SS energy:    8.549 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    2.200 (S_LIMSPR_RNA)
=====================================
Write number: 11

Temperature: 1.305000

Total energy: -90.626440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -90.626440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -104.458847 (E_RNA)
		where:
			Base-Base interactions energy:  -51.487
			where:  short stacking energy:  -31.309 

			Base-Backbone interact. energy:   -0.423

			local  terms  energy: -52.801615
			where:
				bonds (distance)  C4'-P  energy:  -17.751
				bonds (distance)  P-C4'  energy:  -15.152
				flat angles   C4'-P-C4'  energy:   -9.931
				flat angles    P-C4'-P   energy:   -9.233
				tors. eta vs tors. theta energy:   -0.735

		Dist. restrs. and SS energy:   13.832 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.253 (S_LIMSPR_RNA)
=====================================
Write number: 12

Temperature: 1.300500

Total energy: -98.611367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -98.611367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -107.229256 (E_RNA)
		where:
			Base-Base interactions energy:  -48.290
			where:  short stacking energy:  -36.406 

			Base-Backbone interact. energy:   -0.950

			local  terms  energy: -58.267882
			where:
				bonds (distance)  C4'-P  energy:  -12.731
				bonds (distance)  P-C4'  energy:  -16.803
				flat angles   C4'-P-C4'  energy:  -14.598
				flat angles    P-C4'-P   energy:   -9.616
				tors. eta vs tors. theta energy:   -4.520

		Dist. restrs. and SS energy:    8.618 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.279 (S_LIMSPR_RNA)
=====================================
Write number: 13

Temperature: 1.296000

Total energy: -90.723339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -90.723339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -105.070072 (E_RNA)
		where:
			Base-Base interactions energy:  -42.978
			where:  short stacking energy:  -31.545 

			Base-Backbone interact. energy:   -0.324

			local  terms  energy: -62.959838
			where:
				bonds (distance)  C4'-P  energy:  -12.716
				bonds (distance)  P-C4'  energy:  -20.627
				flat angles   C4'-P-C4'  energy:  -11.985
				flat angles    P-C4'-P   energy:  -13.122
				tors. eta vs tors. theta energy:   -4.508

		Dist. restrs. and SS energy:   14.347 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.191 (S_LIMSPR_RNA)
=====================================
Write number: 14

Temperature: 1.291500

Total energy: -93.940572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -93.940572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -98.616618 (E_RNA)
		where:
			Base-Base interactions energy:  -49.181
			where:  short stacking energy:  -34.747 

			Base-Backbone interact. energy:   -0.010

			local  terms  energy: -49.426239
			where:
				bonds (distance)  C4'-P  energy:  -18.806
				bonds (distance)  P-C4'  energy:   -9.720
				flat angles   C4'-P-C4'  energy:  -13.393
				flat angles    P-C4'-P   energy:   -2.298
				tors. eta vs tors. theta energy:   -5.208

		Dist. restrs. and SS energy:    4.676 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 15

Temperature: 1.287000

Total energy: -88.311338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -88.311338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -96.542544 (E_RNA)
		where:
			Base-Base interactions energy:  -46.725
			where:  short stacking energy:  -29.361 

			Base-Backbone interact. energy:   -0.615

			local  terms  energy: -49.202206
			where:
				bonds (distance)  C4'-P  energy:  -14.410
				bonds (distance)  P-C4'  energy:  -15.619
				flat angles   C4'-P-C4'  energy:  -10.435
				flat angles    P-C4'-P   energy:   -8.305
				tors. eta vs tors. theta energy:   -0.433

		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)
=====================================
Write number: 16

Temperature: 1.282500

Total energy: -86.339251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -86.339251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -99.171370 (E_RNA)
		where:
			Base-Base interactions energy:  -47.499
			where:  short stacking energy:  -33.057 

			Base-Backbone interact. energy:   -0.192

			local  terms  energy: -53.290267
			where:
				bonds (distance)  C4'-P  energy:  -11.613
				bonds (distance)  P-C4'  energy:  -18.064
				flat angles   C4'-P-C4'  energy:  -15.110
				flat angles    P-C4'-P   energy:   -5.435
				tors. eta vs tors. theta energy:   -3.069

		Dist. restrs. and SS energy:   12.832 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.810 (S_LIMSPR_RNA)
=====================================
Write number: 17

Temperature: 1.278000

Total energy: -96.590098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -96.590098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -102.602954 (E_RNA)
		where:
			Base-Base interactions energy:  -48.349
			where:  short stacking energy:  -28.785 

			Base-Backbone interact. energy:   -0.592

			local  terms  energy: -53.662335
			where:
				bonds (distance)  C4'-P  energy:  -11.298
				bonds (distance)  P-C4'  energy:  -16.886
				flat angles   C4'-P-C4'  energy:  -14.109
				flat angles    P-C4'-P   energy:   -3.639
				tors. eta vs tors. theta energy:   -7.730

		Dist. restrs. and SS energy:    6.013 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 18

Temperature: 1.273500

Total energy: -96.772956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -96.772956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -107.568995 (E_RNA)
		where:
			Base-Base interactions energy:  -54.791
			where:  short stacking energy:  -41.934 

			Base-Backbone interact. energy:   -0.823

			local  terms  energy: -51.955582
			where:
				bonds (distance)  C4'-P  energy:  -12.294
				bonds (distance)  P-C4'  energy:  -14.151
				flat angles   C4'-P-C4'  energy:  -13.771
				flat angles    P-C4'-P   energy:   -6.237
				tors. eta vs tors. theta energy:   -5.502

		Dist. restrs. and SS energy:   10.796 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 19

Temperature: 1.269000

Total energy: -101.703935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -101.703935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -112.427951 (E_RNA)
		where:
			Base-Base interactions energy:  -54.775
			where:  short stacking energy:  -38.354 

			Base-Backbone interact. energy:   -0.324

			local  terms  energy: -57.491961
			where:
				bonds (distance)  C4'-P  energy:  -11.617
				bonds (distance)  P-C4'  energy:  -17.371
				flat angles   C4'-P-C4'  energy:  -13.137
				flat angles    P-C4'-P   energy:  -10.876
				tors. eta vs tors. theta energy:   -4.491

		Dist. restrs. and SS energy:   10.724 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.163 (S_LIMSPR_RNA)
=====================================
Write number: 20

Temperature: 1.264500

Total energy: -85.145370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -85.145370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -89.757735 (E_RNA)
		where:
			Base-Base interactions energy:  -40.141
			where:  short stacking energy:  -27.937 

			Base-Backbone interact. energy:   -0.114

			local  terms  energy: -50.018969
			where:
				bonds (distance)  C4'-P  energy:  -13.066
				bonds (distance)  P-C4'  energy:  -14.386
				flat angles   C4'-P-C4'  energy:  -10.185
				flat angles    P-C4'-P   energy:   -9.106
				tors. eta vs tors. theta energy:   -3.276

		Dist. restrs. and SS energy:    4.612 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.516 (S_LIMSPR_RNA)
=====================================
Write number: 21

Temperature: 1.260000

Total energy: -99.702029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -99.702029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -106.982722 (E_RNA)
		where:
			Base-Base interactions energy:  -58.602
			where:  short stacking energy:  -36.511 

			Base-Backbone interact. energy:   -0.496

			local  terms  energy: -49.140566
			where:
				bonds (distance)  C4'-P  energy:  -12.486
				bonds (distance)  P-C4'  energy:  -11.469
				flat angles   C4'-P-C4'  energy:  -14.651
				flat angles    P-C4'-P   energy:   -7.594
				tors. eta vs tors. theta energy:   -2.940

		Dist. restrs. and SS energy:    7.281 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.256 (S_LIMSPR_RNA)
=====================================
Write number: 22

Temperature: 1.255500

Total energy: -107.912060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -107.912060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -116.225941 (E_RNA)
		where:
			Base-Base interactions energy:  -56.437
			where:  short stacking energy:  -40.193 

			Base-Backbone interact. energy:   -0.618

			local  terms  energy: -59.654281
			where:
				bonds (distance)  C4'-P  energy:  -13.570
				bonds (distance)  P-C4'  energy:  -14.933
				flat angles   C4'-P-C4'  energy:  -15.687
				flat angles    P-C4'-P   energy:   -9.080
				tors. eta vs tors. theta energy:   -6.384

		Dist. restrs. and SS energy:    8.314 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.483 (S_LIMSPR_RNA)
=====================================
Write number: 23

Temperature: 1.251000

Total energy: -97.229913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -97.229913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -108.615656 (E_RNA)
		where:
			Base-Base interactions energy:  -51.669
			where:  short stacking energy:  -37.026 

			Base-Backbone interact. energy:   -0.270

			local  terms  energy: -56.677016
			where:
				bonds (distance)  C4'-P  energy:  -14.866
				bonds (distance)  P-C4'  energy:  -12.700
				flat angles   C4'-P-C4'  energy:  -10.764
				flat angles    P-C4'-P   energy:  -13.379
				tors. eta vs tors. theta energy:   -4.967

		Dist. restrs. and SS energy:   11.386 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 24

Temperature: 1.246500

Total energy: -105.573049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -105.573049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -111.195316 (E_RNA)
		where:
			Base-Base interactions energy:  -57.548
			where:  short stacking energy:  -37.711 

			Base-Backbone interact. energy:   -0.523

			local  terms  energy: -53.505325
			where:
				bonds (distance)  C4'-P  energy:  -16.100
				bonds (distance)  P-C4'  energy:  -13.071
				flat angles   C4'-P-C4'  energy:  -13.117
				flat angles    P-C4'-P   energy:   -6.706
				tors. eta vs tors. theta energy:   -4.512

		Dist. restrs. and SS energy:    5.622 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.381 (S_LIMSPR_RNA)
=====================================
Write number: 25

Temperature: 1.242000

Total energy: -101.254686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -101.254686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -115.946635 (E_RNA)
		where:
			Base-Base interactions energy:  -55.976
			where:  short stacking energy:  -32.894 

			Base-Backbone interact. energy:    0.732

			local  terms  energy: -60.703547
			where:
				bonds (distance)  C4'-P  energy:  -16.674
				bonds (distance)  P-C4'  energy:  -18.179
				flat angles   C4'-P-C4'  energy:  -12.907
				flat angles    P-C4'-P   energy:  -11.533
				tors. eta vs tors. theta energy:   -1.411

		Dist. restrs. and SS energy:   14.692 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 26

Temperature: 1.237500

Total energy: -100.358624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -100.358624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -110.211076 (E_RNA)
		where:
			Base-Base interactions energy:  -52.671
			where:  short stacking energy:  -43.171 

			Base-Backbone interact. energy:   -0.246

			local  terms  energy: -57.294106
			where:
				bonds (distance)  C4'-P  energy:  -12.569
				bonds (distance)  P-C4'  energy:  -13.933
				flat angles   C4'-P-C4'  energy:  -13.650
				flat angles    P-C4'-P   energy:   -6.675
				tors. eta vs tors. theta energy:  -10.468

		Dist. restrs. and SS energy:    9.852 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 27

Temperature: 1.233000

Total energy: -96.891783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -96.891783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -105.178597 (E_RNA)
		where:
			Base-Base interactions energy:  -44.126
			where:  short stacking energy:  -30.087 

			Base-Backbone interact. energy:   -0.186

			local  terms  energy: -60.866802
			where:
				bonds (distance)  C4'-P  energy:  -13.314
				bonds (distance)  P-C4'  energy:  -16.249
				flat angles   C4'-P-C4'  energy:  -13.165
				flat angles    P-C4'-P   energy:  -11.280
				tors. eta vs tors. theta energy:   -6.858

		Dist. restrs. and SS energy:    8.287 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 28

Temperature: 1.228500

Total energy: -87.503874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -87.503874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -95.647354 (E_RNA)
		where:
			Base-Base interactions energy:  -45.770
			where:  short stacking energy:  -38.258 

			Base-Backbone interact. energy:    0.418

			local  terms  energy: -50.382187
			where:
				bonds (distance)  C4'-P  energy:  -10.796
				bonds (distance)  P-C4'  energy:  -14.556
				flat angles   C4'-P-C4'  energy:  -11.407
				flat angles    P-C4'-P   energy:   -8.894
				tors. eta vs tors. theta energy:   -4.730

		Dist. restrs. and SS energy:    8.143 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.087 (S_LIMSPR_RNA)
=====================================
Write number: 29

Temperature: 1.224000

Total energy: -103.353091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -103.353091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -113.092865 (E_RNA)
		where:
			Base-Base interactions energy:  -57.650
			where:  short stacking energy:  -39.577 

			Base-Backbone interact. energy:   -0.078

			local  terms  energy: -55.364568
			where:
				bonds (distance)  C4'-P  energy:  -13.365
				bonds (distance)  P-C4'  energy:  -12.577
				flat angles   C4'-P-C4'  energy:  -10.831
				flat angles    P-C4'-P   energy:  -11.005
				tors. eta vs tors. theta energy:   -7.586

		Dist. restrs. and SS energy:    9.740 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 30

Temperature: 1.219500

Total energy: -98.917916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -98.917916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -110.411723 (E_RNA)
		where:
			Base-Base interactions energy:  -60.608
			where:  short stacking energy:  -44.494 

			Base-Backbone interact. energy:   -0.287

			local  terms  energy: -49.516800
			where:
				bonds (distance)  C4'-P  energy:   -8.682
				bonds (distance)  P-C4'  energy:  -13.188
				flat angles   C4'-P-C4'  energy:   -9.455
				flat angles    P-C4'-P   energy:   -7.594
				tors. eta vs tors. theta energy:  -10.599

		Dist. restrs. and SS energy:   11.494 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 31

Temperature: 1.215000

Total energy: -96.935579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -96.935579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -106.350103 (E_RNA)
		where:
			Base-Base interactions energy:  -54.924
			where:  short stacking energy:  -40.861 

			Base-Backbone interact. energy:   -0.836

			local  terms  energy: -50.589919
			where:
				bonds (distance)  C4'-P  energy:   -9.889
				bonds (distance)  P-C4'  energy:  -13.223
				flat angles   C4'-P-C4'  energy:   -6.271
				flat angles    P-C4'-P   energy:  -10.062
				tors. eta vs tors. theta energy:  -11.145

		Dist. restrs. and SS energy:    9.415 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 32

Temperature: 1.210500

Total energy: -93.307650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -93.307650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -103.140512 (E_RNA)
		where:
			Base-Base interactions energy:  -50.686
			where:  short stacking energy:  -40.370 

			Base-Backbone interact. energy:    0.734

			local  terms  energy: -53.972039
			where:
				bonds (distance)  C4'-P  energy:   -9.363
				bonds (distance)  P-C4'  energy:  -17.278
				flat angles   C4'-P-C4'  energy:   -9.601
				flat angles    P-C4'-P   energy:   -9.958
				tors. eta vs tors. theta energy:   -7.771

		Dist. restrs. and SS energy:    9.833 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.783 (S_LIMSPR_RNA)
=====================================
Write number: 33

Temperature: 1.206000

Total energy: -100.765564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -100.765564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -114.140268 (E_RNA)
		where:
			Base-Base interactions energy:  -45.352
			where:  short stacking energy:  -33.009 

			Base-Backbone interact. energy:    0.727

			local  terms  energy: -69.515186
			where:
				bonds (distance)  C4'-P  energy:  -13.809
				bonds (distance)  P-C4'  energy:  -19.588
				flat angles   C4'-P-C4'  energy:  -17.195
				flat angles    P-C4'-P   energy:   -9.652
				tors. eta vs tors. theta energy:   -9.271

		Dist. restrs. and SS energy:   13.375 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 34

Temperature: 1.201500

Total energy: -103.752140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -103.752140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -112.414171 (E_RNA)
		where:
			Base-Base interactions energy:  -50.291
			where:  short stacking energy:  -38.949 

			Base-Backbone interact. energy:   -1.237

			local  terms  energy: -60.904262
			where:
				bonds (distance)  C4'-P  energy:  -14.206
				bonds (distance)  P-C4'  energy:  -16.755
				flat angles   C4'-P-C4'  energy:  -13.903
				flat angles    P-C4'-P   energy:   -6.602
				tors. eta vs tors. theta energy:   -9.438

		Dist. restrs. and SS energy:    8.662 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.018 (S_LIMSPR_RNA)
=====================================
Write number: 35

Temperature: 1.197000

Total energy: -93.308480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -93.308480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -105.074913 (E_RNA)
		where:
			Base-Base interactions energy:  -47.078
			where:  short stacking energy:  -37.209 

			Base-Backbone interact. energy:   -0.168

			local  terms  energy: -57.828823
			where:
				bonds (distance)  C4'-P  energy:  -14.796
				bonds (distance)  P-C4'  energy:  -16.664
				flat angles   C4'-P-C4'  energy:   -9.063
				flat angles    P-C4'-P   energy:  -10.741
				tors. eta vs tors. theta energy:   -6.564

		Dist. restrs. and SS energy:   11.766 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 36

Temperature: 1.192500

Total energy: -91.995725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -91.995725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -100.245077 (E_RNA)
		where:
			Base-Base interactions energy:  -43.188
			where:  short stacking energy:  -30.108 

			Base-Backbone interact. energy:   -0.129

			local  terms  energy: -57.634610
			where:
				bonds (distance)  C4'-P  energy:  -16.526
				bonds (distance)  P-C4'  energy:  -13.621
				flat angles   C4'-P-C4'  energy:  -13.198
				flat angles    P-C4'-P   energy:   -9.171
				tors. eta vs tors. theta energy:   -5.119

		Dist. restrs. and SS energy:    8.249 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.707 (S_LIMSPR_RNA)
=====================================
Write number: 37

Temperature: 1.188000

Total energy: -99.444180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -99.444180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -106.573861 (E_RNA)
		where:
			Base-Base interactions energy:  -50.664
			where:  short stacking energy:  -35.193 

			Base-Backbone interact. energy:    0.047

			local  terms  energy: -56.662938
			where:
				bonds (distance)  C4'-P  energy:  -13.906
				bonds (distance)  P-C4'  energy:  -16.022
				flat angles   C4'-P-C4'  energy:  -16.745
				flat angles    P-C4'-P   energy:   -5.920
				tors. eta vs tors. theta energy:   -4.071

		Dist. restrs. and SS energy:    7.130 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.706 (S_LIMSPR_RNA)
=====================================
Write number: 38

Temperature: 1.183500

Total energy: -90.000752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -90.000752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -105.254383 (E_RNA)
		where:
			Base-Base interactions energy:  -58.831
			where:  short stacking energy:  -40.039 

			Base-Backbone interact. energy:   -1.387

			local  terms  energy: -45.773330
			where:
				bonds (distance)  C4'-P  energy:   -9.162
				bonds (distance)  P-C4'  energy:  -11.589
				flat angles   C4'-P-C4'  energy:  -14.918
				flat angles    P-C4'-P   energy:   -9.082
				tors. eta vs tors. theta energy:   -1.023

		Dist. restrs. and SS energy:   15.254 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.737 (S_LIMSPR_RNA)
=====================================
Write number: 39

Temperature: 1.179000

Total energy: -100.615237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -100.615237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -108.002189 (E_RNA)
		where:
			Base-Base interactions energy:  -49.394
			where:  short stacking energy:  -35.900 

			Base-Backbone interact. energy:   -0.348

			local  terms  energy: -58.941389
			where:
				bonds (distance)  C4'-P  energy:  -12.651
				bonds (distance)  P-C4'  energy:  -19.302
				flat angles   C4'-P-C4'  energy:  -11.629
				flat angles    P-C4'-P   energy:   -8.462
				tors. eta vs tors. theta energy:   -6.897

		Dist. restrs. and SS energy:    7.387 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.682 (S_LIMSPR_RNA)
=====================================
Write number: 40

Temperature: 1.174500

Total energy: -108.390700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -108.390700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -112.302150 (E_RNA)
		where:
			Base-Base interactions energy:  -60.437
			where:  short stacking energy:  -38.877 

			Base-Backbone interact. energy:   -2.208

			local  terms  energy: -49.657078
			where:
				bonds (distance)  C4'-P  energy:  -10.540
				bonds (distance)  P-C4'  energy:  -11.350
				flat angles   C4'-P-C4'  energy:  -15.449
				flat angles    P-C4'-P   energy:   -4.066
				tors. eta vs tors. theta energy:   -8.252

		Dist. restrs. and SS energy:    3.911 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 41

Temperature: 1.170000

Total energy: -117.709357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -117.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -124.439325 (E_RNA)
		where:
			Base-Base interactions energy:  -67.838
			where:  short stacking energy:  -49.853 

			Base-Backbone interact. energy:   -0.099

			local  terms  energy: -56.502762
			where:
				bonds (distance)  C4'-P  energy:  -10.299
				bonds (distance)  P-C4'  energy:  -13.214
				flat angles   C4'-P-C4'  energy:  -11.102
				flat angles    P-C4'-P   energy:  -11.085
				tors. eta vs tors. theta energy:  -10.802

		Dist. restrs. and SS energy:    6.730 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 42

Temperature: 1.165500

Total energy: -100.018868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -100.018868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -109.530054 (E_RNA)
		where:
			Base-Base interactions energy:  -58.330
			where:  short stacking energy:  -45.423 

			Base-Backbone interact. energy:   -0.992

			local  terms  energy: -50.208332
			where:
				bonds (distance)  C4'-P  energy:   -6.852
				bonds (distance)  P-C4'  energy:  -19.034
				flat angles   C4'-P-C4'  energy:   -9.937
				flat angles    P-C4'-P   energy:   -9.582
				tors. eta vs tors. theta energy:   -4.804

		Dist. restrs. and SS energy:    9.511 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 43

Temperature: 1.161000

Total energy: -98.255783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -98.255783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -103.375421 (E_RNA)
		where:
			Base-Base interactions energy:  -53.484
			where:  short stacking energy:  -36.465 

			Base-Backbone interact. energy:   -0.273

			local  terms  energy: -49.617668
			where:
				bonds (distance)  C4'-P  energy:  -17.901
				bonds (distance)  P-C4'  energy:  -16.086
				flat angles   C4'-P-C4'  energy:   -8.608
				flat angles    P-C4'-P   energy:   -5.415
				tors. eta vs tors. theta energy:   -1.607

		Dist. restrs. and SS energy:    5.120 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 44

Temperature: 1.156500

Total energy: -125.473371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -125.473371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -130.689454 (E_RNA)
		where:
			Base-Base interactions energy:  -67.388
			where:  short stacking energy:  -56.126 

			Base-Backbone interact. energy:   -0.323

			local  terms  energy: -63.357649
			where:
				bonds (distance)  C4'-P  energy:  -15.284
				bonds (distance)  P-C4'  energy:  -12.640
				flat angles   C4'-P-C4'  energy:   -9.360
				flat angles    P-C4'-P   energy:  -13.290
				tors. eta vs tors. theta energy:  -12.784

		Dist. restrs. and SS energy:    5.216 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.379 (S_LIMSPR_RNA)
=====================================
Write number: 45

Temperature: 1.152000

Total energy: -122.061752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -122.061752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -136.318669 (E_RNA)
		where:
			Base-Base interactions energy:  -71.926
			where:  short stacking energy:  -53.287 

			Base-Backbone interact. energy:   -0.309

			local  terms  energy: -64.338604
			where:
				bonds (distance)  C4'-P  energy:  -11.877
				bonds (distance)  P-C4'  energy:  -16.259
				flat angles   C4'-P-C4'  energy:  -11.979
				flat angles    P-C4'-P   energy:  -12.388
				tors. eta vs tors. theta energy:  -11.835

		Dist. restrs. and SS energy:   14.257 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.255 (S_LIMSPR_RNA)
=====================================
Write number: 46

Temperature: 1.147500

Total energy: -108.112443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -108.112443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -112.813942 (E_RNA)
		where:
			Base-Base interactions energy:  -64.202
			where:  short stacking energy:  -35.351 

			Base-Backbone interact. energy:   -0.212

			local  terms  energy: -48.445423
			where:
				bonds (distance)  C4'-P  energy:  -11.998
				bonds (distance)  P-C4'  energy:  -15.378
				flat angles   C4'-P-C4'  energy:  -12.026
				flat angles    P-C4'-P   energy:   -4.599
				tors. eta vs tors. theta energy:   -4.445

		Dist. restrs. and SS energy:    4.701 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.046 (S_LIMSPR_RNA)
=====================================
Write number: 47

Temperature: 1.143000

Total energy: -122.258925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -122.258925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -129.934531 (E_RNA)
		where:
			Base-Base interactions energy:  -72.292
			where:  short stacking energy:  -38.942 

			Base-Backbone interact. energy:   -0.706

			local  terms  energy: -56.936327
			where:
				bonds (distance)  C4'-P  energy:  -14.186
				bonds (distance)  P-C4'  energy:  -16.184
				flat angles   C4'-P-C4'  energy:  -14.584
				flat angles    P-C4'-P   energy:   -7.511
				tors. eta vs tors. theta energy:   -4.471

		Dist. restrs. and SS energy:    7.676 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 48

Temperature: 1.138500

Total energy: -100.806801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -100.806801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -111.922240 (E_RNA)
		where:
			Base-Base interactions energy:  -62.048
			where:  short stacking energy:  -35.189 

			Base-Backbone interact. energy:   -0.848

			local  terms  energy: -49.927344
			where:
				bonds (distance)  C4'-P  energy:   -9.989
				bonds (distance)  P-C4'  energy:  -15.107
				flat angles   C4'-P-C4'  energy:  -18.049
				flat angles    P-C4'-P   energy:   -2.269
				tors. eta vs tors. theta energy:   -4.513

		Dist. restrs. and SS energy:   11.115 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.901 (S_LIMSPR_RNA)
=====================================
Write number: 49

Temperature: 1.134000

Total energy: -113.019520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -113.019520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -120.279913 (E_RNA)
		where:
			Base-Base interactions energy:  -55.988
			where:  short stacking energy:  -40.835 

			Base-Backbone interact. energy:   -0.175

			local  terms  energy: -64.117342
			where:
				bonds (distance)  C4'-P  energy:   -8.872
				bonds (distance)  P-C4'  energy:  -17.604
				flat angles   C4'-P-C4'  energy:  -13.475
				flat angles    P-C4'-P   energy:  -12.440
				tors. eta vs tors. theta energy:  -11.726

		Dist. restrs. and SS energy:    7.260 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 50

Temperature: 1.129500

Total energy: -120.039692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -120.039692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -125.526143 (E_RNA)
		where:
			Base-Base interactions energy:  -61.105
			where:  short stacking energy:  -42.368 

			Base-Backbone interact. energy:   -0.194

			local  terms  energy: -64.226584
			where:
				bonds (distance)  C4'-P  energy:  -13.347
				bonds (distance)  P-C4'  energy:  -12.063
				flat angles   C4'-P-C4'  energy:  -18.667
				flat angles    P-C4'-P   energy:   -7.196
				tors. eta vs tors. theta energy:  -12.954

		Dist. restrs. and SS energy:    5.486 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 51

Temperature: 1.125000

Total energy: -109.956062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -109.956062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -119.339686 (E_RNA)
		where:
			Base-Base interactions energy:  -52.653
			where:  short stacking energy:  -41.083 

			Base-Backbone interact. energy:   -0.145

			local  terms  energy: -66.541838
			where:
				bonds (distance)  C4'-P  energy:  -13.811
				bonds (distance)  P-C4'  energy:  -16.777
				flat angles   C4'-P-C4'  energy:  -14.429
				flat angles    P-C4'-P   energy:  -11.992
				tors. eta vs tors. theta energy:   -9.533

		Dist. restrs. and SS energy:    9.384 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 52

Temperature: 1.120500

Total energy: -118.657288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -118.657288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -123.963392 (E_RNA)
		where:
			Base-Base interactions energy:  -64.160
			where:  short stacking energy:  -48.887 

			Base-Backbone interact. energy:    0.513

			local  terms  energy: -60.315570
			where:
				bonds (distance)  C4'-P  energy:  -13.550
				bonds (distance)  P-C4'  energy:  -20.069
				flat angles   C4'-P-C4'  energy:  -10.501
				flat angles    P-C4'-P   energy:   -7.008
				tors. eta vs tors. theta energy:   -9.187

		Dist. restrs. and SS energy:    5.306 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 53

Temperature: 1.116000

Total energy: -134.293047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -134.293047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -141.103301 (E_RNA)
		where:
			Base-Base interactions energy:  -80.869
			where:  short stacking energy:  -54.906 

			Base-Backbone interact. energy:   -0.158

			local  terms  energy: -60.526358
			where:
				bonds (distance)  C4'-P  energy:   -7.608
				bonds (distance)  P-C4'  energy:  -15.420
				flat angles   C4'-P-C4'  energy:  -10.659
				flat angles    P-C4'-P   energy:  -11.673
				tors. eta vs tors. theta energy:  -15.166

		Dist. restrs. and SS energy:    6.810 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.451 (S_LIMSPR_RNA)
=====================================
Write number: 54

Temperature: 1.111500

Total energy: -104.634698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -104.634698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -115.990552 (E_RNA)
		where:
			Base-Base interactions energy:  -63.064
			where:  short stacking energy:  -35.023 

			Base-Backbone interact. energy:   -0.516

			local  terms  energy: -52.646421
			where:
				bonds (distance)  C4'-P  energy:  -17.068
				bonds (distance)  P-C4'  energy:   -7.939
				flat angles   C4'-P-C4'  energy:  -15.986
				flat angles    P-C4'-P   energy:   -9.585
				tors. eta vs tors. theta energy:   -2.068

		Dist. restrs. and SS energy:   11.356 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.236 (S_LIMSPR_RNA)
=====================================
Write number: 55

Temperature: 1.107000

Total energy: -113.424113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -113.424113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -121.541752 (E_RNA)
		where:
			Base-Base interactions energy:  -68.284
			where:  short stacking energy:  -46.002 

			Base-Backbone interact. energy:   -0.510

			local  terms  energy: -52.748086
			where:
				bonds (distance)  C4'-P  energy:  -13.261
				bonds (distance)  P-C4'  energy:  -14.284
				flat angles   C4'-P-C4'  energy:  -11.816
				flat angles    P-C4'-P   energy:   -3.695
				tors. eta vs tors. theta energy:   -9.692

		Dist. restrs. and SS energy:    8.118 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 56

Temperature: 1.102500

Total energy: -112.691297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -112.691297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -122.199846 (E_RNA)
		where:
			Base-Base interactions energy:  -68.325
			where:  short stacking energy:  -45.425 

			Base-Backbone interact. energy:   -0.130

			local  terms  energy: -53.745044
			where:
				bonds (distance)  C4'-P  energy:  -17.201
				bonds (distance)  P-C4'  energy:  -12.919
				flat angles   C4'-P-C4'  energy:  -12.424
				flat angles    P-C4'-P   energy:   -1.265
				tors. eta vs tors. theta energy:   -9.936

		Dist. restrs. and SS energy:    9.509 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 57

Temperature: 1.098000

Total energy: -105.337871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -105.337871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -111.178823 (E_RNA)
		where:
			Base-Base interactions energy:  -65.520
			where:  short stacking energy:  -36.896 

			Base-Backbone interact. energy:   -0.015

			local  terms  energy: -45.643560
			where:
				bonds (distance)  C4'-P  energy:   -8.584
				bonds (distance)  P-C4'  energy:  -14.486
				flat angles   C4'-P-C4'  energy:  -13.352
				flat angles    P-C4'-P   energy:   -3.880
				tors. eta vs tors. theta energy:   -5.342

		Dist. restrs. and SS energy:    5.841 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 58

Temperature: 1.093500

Total energy: -107.353745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -107.353745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -114.435791 (E_RNA)
		where:
			Base-Base interactions energy:  -62.306
			where:  short stacking energy:  -42.502 

			Base-Backbone interact. energy:   -0.404

			local  terms  energy: -52.057416
			where:
				bonds (distance)  C4'-P  energy:  -16.249
				bonds (distance)  P-C4'  energy:  -14.656
				flat angles   C4'-P-C4'  energy:   -8.914
				flat angles    P-C4'-P   energy:   -6.022
				tors. eta vs tors. theta energy:   -6.216

		Dist. restrs. and SS energy:    7.082 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.332 (S_LIMSPR_RNA)
=====================================
Write number: 59

Temperature: 1.089000

Total energy: -111.970611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -111.970611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -120.399068 (E_RNA)
		where:
			Base-Base interactions energy:  -57.928
			where:  short stacking energy:  -46.469 

			Base-Backbone interact. energy:   -0.071

			local  terms  energy: -62.400828
			where:
				bonds (distance)  C4'-P  energy:  -14.546
				bonds (distance)  P-C4'  energy:  -17.441
				flat angles   C4'-P-C4'  energy:  -15.575
				flat angles    P-C4'-P   energy:   -7.907
				tors. eta vs tors. theta energy:   -6.932

		Dist. restrs. and SS energy:    8.428 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 60

Temperature: 1.084500

Total energy: -124.142076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -124.142076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -127.297541 (E_RNA)
		where:
			Base-Base interactions energy:  -75.144
			where:  short stacking energy:  -38.299 

			Base-Backbone interact. energy:   -1.620

			local  terms  energy: -50.556062
			where:
				bonds (distance)  C4'-P  energy:  -12.225
				bonds (distance)  P-C4'  energy:  -14.514
				flat angles   C4'-P-C4'  energy:  -11.338
				flat angles    P-C4'-P   energy:   -6.771
				tors. eta vs tors. theta energy:   -5.707

		Dist. restrs. and SS energy:    3.155 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.022 (S_LIMSPR_RNA)
=====================================
Write number: 61

Temperature: 1.080000

Total energy: -127.455131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -127.455131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -133.889784 (E_RNA)
		where:
			Base-Base interactions energy:  -73.164
			where:  short stacking energy:  -49.043 

			Base-Backbone interact. energy:   -0.350

			local  terms  energy: -60.375356
			where:
				bonds (distance)  C4'-P  energy:  -11.288
				bonds (distance)  P-C4'  energy:  -15.749
				flat angles   C4'-P-C4'  energy:  -12.695
				flat angles    P-C4'-P   energy:  -11.093
				tors. eta vs tors. theta energy:   -9.550

		Dist. restrs. and SS energy:    6.435 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 62

Temperature: 1.075500

Total energy: -132.632620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -132.632620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -138.278689 (E_RNA)
		where:
			Base-Base interactions energy:  -80.723
			where:  short stacking energy:  -51.926 

			Base-Backbone interact. energy:   -1.031

			local  terms  energy: -57.251823
			where:
				bonds (distance)  C4'-P  energy:  -14.104
				bonds (distance)  P-C4'  energy:  -19.510
				flat angles   C4'-P-C4'  energy:  -10.646
				flat angles    P-C4'-P   energy:   -3.280
				tors. eta vs tors. theta energy:   -9.712

		Dist. restrs. and SS energy:    5.646 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.727 (S_LIMSPR_RNA)
=====================================
Write number: 63

Temperature: 1.071000

Total energy: -128.819795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -128.819795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -135.536391 (E_RNA)
		where:
			Base-Base interactions energy:  -75.987
			where:  short stacking energy:  -41.434 

			Base-Backbone interact. energy:   -0.198

			local  terms  energy: -59.963391
			where:
				bonds (distance)  C4'-P  energy:  -14.839
				bonds (distance)  P-C4'  energy:  -15.390
				flat angles   C4'-P-C4'  energy:  -14.483
				flat angles    P-C4'-P   energy:   -4.632
				tors. eta vs tors. theta energy:  -10.619

		Dist. restrs. and SS energy:    6.717 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.611 (S_LIMSPR_RNA)
=====================================
Write number: 64

Temperature: 1.066500

Total energy: -131.306290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -131.306290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -139.307998 (E_RNA)
		where:
			Base-Base interactions energy:  -73.280
			where:  short stacking energy:  -50.139 

			Base-Backbone interact. energy:   -0.201

			local  terms  energy: -66.289420
			where:
				bonds (distance)  C4'-P  energy:  -15.975
				bonds (distance)  P-C4'  energy:  -15.854
				flat angles   C4'-P-C4'  energy:  -13.533
				flat angles    P-C4'-P   energy:   -8.911
				tors. eta vs tors. theta energy:  -12.015

		Dist. restrs. and SS energy:    8.002 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.463 (S_LIMSPR_RNA)
=====================================
Write number: 65

Temperature: 1.062000

Total energy: -140.789658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -140.789658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -149.836120 (E_RNA)
		where:
			Base-Base interactions energy:  -87.067
			where:  short stacking energy:  -59.033 

			Base-Backbone interact. energy:   -0.123

			local  terms  energy: -62.646069
			where:
				bonds (distance)  C4'-P  energy:  -11.825
				bonds (distance)  P-C4'  energy:  -17.445
				flat angles   C4'-P-C4'  energy:  -16.503
				flat angles    P-C4'-P   energy:   -7.384
				tors. eta vs tors. theta energy:   -9.490

		Dist. restrs. and SS energy:    9.046 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 66

Temperature: 1.057500

Total energy: -122.409785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -122.409785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -135.112140 (E_RNA)
		where:
			Base-Base interactions energy:  -73.734
			where:  short stacking energy:  -50.976 

			Base-Backbone interact. energy:    0.321

			local  terms  energy: -62.033655
			where:
				bonds (distance)  C4'-P  energy:  -13.509
				bonds (distance)  P-C4'  energy:  -14.028
				flat angles   C4'-P-C4'  energy:  -11.010
				flat angles    P-C4'-P   energy:   -9.270
				tors. eta vs tors. theta energy:  -14.217

		Dist. restrs. and SS energy:   12.702 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.334 (S_LIMSPR_RNA)
=====================================
Write number: 67

Temperature: 1.053000

Total energy: -115.506878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -115.506878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -126.831479 (E_RNA)
		where:
			Base-Base interactions energy:  -60.474
			where:  short stacking energy:  -46.712 

			Base-Backbone interact. energy:    0.032

			local  terms  energy: -67.278472
			where:
				bonds (distance)  C4'-P  energy:  -15.002
				bonds (distance)  P-C4'  energy:  -17.427
				flat angles   C4'-P-C4'  energy:  -12.091
				flat angles    P-C4'-P   energy:   -9.517
				tors. eta vs tors. theta energy:  -13.242

		Dist. restrs. and SS energy:   11.325 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.889 (S_LIMSPR_RNA)
=====================================
Write number: 68

Temperature: 1.048500

Total energy: -123.174132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -123.174132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -131.850997 (E_RNA)
		where:
			Base-Base interactions energy:  -67.232
			where:  short stacking energy:  -47.146 

			Base-Backbone interact. energy:   -0.922

			local  terms  energy: -63.697472
			where:
				bonds (distance)  C4'-P  energy:  -12.480
				bonds (distance)  P-C4'  energy:  -15.181
				flat angles   C4'-P-C4'  energy:  -14.594
				flat angles    P-C4'-P   energy:   -7.046
				tors. eta vs tors. theta energy:  -14.396

		Dist. restrs. and SS energy:    8.677 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 69

Temperature: 1.044000

Total energy: -128.655926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -128.655926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -138.110603 (E_RNA)
		where:
			Base-Base interactions energy:  -77.739
			where:  short stacking energy:  -51.065 

			Base-Backbone interact. energy:   -0.130

			local  terms  energy: -60.241487
			where:
				bonds (distance)  C4'-P  energy:  -12.933
				bonds (distance)  P-C4'  energy:  -13.749
				flat angles   C4'-P-C4'  energy:  -13.242
				flat angles    P-C4'-P   energy:   -8.811
				tors. eta vs tors. theta energy:  -11.508

		Dist. restrs. and SS energy:    9.455 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 70

Temperature: 1.039500

Total energy: -129.007315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -129.007315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -137.519037 (E_RNA)
		where:
			Base-Base interactions energy:  -65.608
			where:  short stacking energy:  -46.130 

			Base-Backbone interact. energy:   -1.417

			local  terms  energy: -70.881573
			where:
				bonds (distance)  C4'-P  energy:  -13.082
				bonds (distance)  P-C4'  energy:  -17.300
				flat angles   C4'-P-C4'  energy:  -17.213
				flat angles    P-C4'-P   energy:  -12.988
				tors. eta vs tors. theta energy:  -10.298

		Dist. restrs. and SS energy:    8.512 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.387 (S_LIMSPR_RNA)
=====================================
Write number: 71

Temperature: 1.035000

Total energy: -115.874351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -115.874351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -127.171395 (E_RNA)
		where:
			Base-Base interactions energy:  -62.883
			where:  short stacking energy:  -41.539 

			Base-Backbone interact. energy:   -0.100

			local  terms  energy: -67.077463
			where:
				bonds (distance)  C4'-P  energy:  -16.836
				bonds (distance)  P-C4'  energy:  -16.315
				flat angles   C4'-P-C4'  energy:  -15.533
				flat angles    P-C4'-P   energy:   -9.906
				tors. eta vs tors. theta energy:   -8.487

		Dist. restrs. and SS energy:   11.297 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    2.889 (S_LIMSPR_RNA)
=====================================
Write number: 72

Temperature: 1.030500

Total energy: -125.935969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -125.935969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -134.529426 (E_RNA)
		where:
			Base-Base interactions energy:  -65.665
			where:  short stacking energy:  -43.379 

			Base-Backbone interact. energy:   -0.181

			local  terms  energy: -68.683884
			where:
				bonds (distance)  C4'-P  energy:  -17.690
				bonds (distance)  P-C4'  energy:  -17.080
				flat angles   C4'-P-C4'  energy:  -13.776
				flat angles    P-C4'-P   energy:   -9.250
				tors. eta vs tors. theta energy:  -10.888

		Dist. restrs. and SS energy:    8.593 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 73

Temperature: 1.026000

Total energy: -122.558643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -122.558643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -127.445430 (E_RNA)
		where:
			Base-Base interactions energy:  -74.131
			where:  short stacking energy:  -45.078 

			Base-Backbone interact. energy:   -0.007

			local  terms  energy: -57.400010
			where:
				bonds (distance)  C4'-P  energy:  -18.066
				bonds (distance)  P-C4'  energy:  -17.579
				flat angles   C4'-P-C4'  energy:   -9.574
				flat angles    P-C4'-P   energy:   -3.615
				tors. eta vs tors. theta energy:   -8.565

		Dist. restrs. and SS energy:    4.887 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    4.093 (S_LIMSPR_RNA)
=====================================
Write number: 74

Temperature: 1.021500

Total energy: -117.297778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -117.297778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -123.300335 (E_RNA)
		where:
			Base-Base interactions energy:  -61.110
			where:  short stacking energy:  -43.088 

			Base-Backbone interact. energy:   -0.230

			local  terms  energy: -64.538088
			where:
				bonds (distance)  C4'-P  energy:  -16.187
				bonds (distance)  P-C4'  energy:  -19.048
				flat angles   C4'-P-C4'  energy:   -8.291
				flat angles    P-C4'-P   energy:   -9.747
				tors. eta vs tors. theta energy:  -11.265

		Dist. restrs. and SS energy:    6.003 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    2.578 (S_LIMSPR_RNA)
=====================================
Write number: 75

Temperature: 1.017000

Total energy: -127.770633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -127.770633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -134.080839 (E_RNA)
		where:
			Base-Base interactions energy:  -65.874
			where:  short stacking energy:  -44.681 

			Base-Backbone interact. energy:   -0.218

			local  terms  energy: -67.989298
			where:
				bonds (distance)  C4'-P  energy:  -15.068
				bonds (distance)  P-C4'  energy:  -18.436
				flat angles   C4'-P-C4'  energy:  -15.859
				flat angles    P-C4'-P   energy:  -10.843
				tors. eta vs tors. theta energy:   -7.784

		Dist. restrs. and SS energy:    6.310 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 76

Temperature: 1.012500

Total energy: -141.171559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -141.171559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -152.960714 (E_RNA)
		where:
			Base-Base interactions energy:  -89.522
			where:  short stacking energy:  -49.145 

			Base-Backbone interact. energy:    0.228

			local  terms  energy: -64.482736
			where:
				bonds (distance)  C4'-P  energy:  -14.253
				bonds (distance)  P-C4'  energy:  -16.218
				flat angles   C4'-P-C4'  energy:  -13.392
				flat angles    P-C4'-P   energy:   -8.899
				tors. eta vs tors. theta energy:  -11.720

		Dist. restrs. and SS energy:   11.789 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.816 (S_LIMSPR_RNA)
=====================================
Write number: 77

Temperature: 1.008000

Total energy: -118.794862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -118.794862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -126.846491 (E_RNA)
		where:
			Base-Base interactions energy:  -67.244
			where:  short stacking energy:  -50.201 

			Base-Backbone interact. energy:   -0.099

			local  terms  energy: -59.518568
			where:
				bonds (distance)  C4'-P  energy:  -12.589
				bonds (distance)  P-C4'  energy:  -13.443
				flat angles   C4'-P-C4'  energy:  -16.957
				flat angles    P-C4'-P   energy:   -9.869
				tors. eta vs tors. theta energy:   -6.660

		Dist. restrs. and SS energy:    8.052 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.015 (S_LIMSPR_RNA)
=====================================
Write number: 78

Temperature: 1.003500

Total energy: -136.057654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -136.057654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -142.377531 (E_RNA)
		where:
			Base-Base interactions energy:  -72.031
			where:  short stacking energy:  -54.345 

			Base-Backbone interact. energy:   -0.012

			local  terms  energy: -70.334360
			where:
				bonds (distance)  C4'-P  energy:  -14.969
				bonds (distance)  P-C4'  energy:  -18.290
				flat angles   C4'-P-C4'  energy:  -14.224
				flat angles    P-C4'-P   energy:   -7.651
				tors. eta vs tors. theta energy:  -15.200

		Dist. restrs. and SS energy:    6.320 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 79

Temperature: 0.999000

Total energy: -139.015140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -139.015140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -144.674449 (E_RNA)
		where:
			Base-Base interactions energy:  -74.451
			where:  short stacking energy:  -54.120 

			Base-Backbone interact. energy:   -0.021

			local  terms  energy: -70.245192
			where:
				bonds (distance)  C4'-P  energy:  -16.476
				bonds (distance)  P-C4'  energy:  -18.741
				flat angles   C4'-P-C4'  energy:  -10.708
				flat angles    P-C4'-P   energy:   -9.458
				tors. eta vs tors. theta energy:  -14.862

		Dist. restrs. and SS energy:    5.659 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.043 (S_LIMSPR_RNA)
=====================================
Write number: 80

Temperature: 0.994500

Total energy: -138.041914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -138.041914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -148.672381 (E_RNA)
		where:
			Base-Base interactions energy:  -80.323
			where:  short stacking energy:  -54.669 

			Base-Backbone interact. energy:   -0.446

			local  terms  energy: -67.904285
			where:
				bonds (distance)  C4'-P  energy:  -13.861
				bonds (distance)  P-C4'  energy:  -13.465
				flat angles   C4'-P-C4'  energy:  -17.392
				flat angles    P-C4'-P   energy:  -10.028
				tors. eta vs tors. theta energy:  -13.159

		Dist. restrs. and SS energy:   10.630 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 81

Temperature: 0.990000

Total energy: -148.614684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -148.614684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -159.216578 (E_RNA)
		where:
			Base-Base interactions energy:  -87.542
			where:  short stacking energy:  -57.726 

			Base-Backbone interact. energy:   -0.802

			local  terms  energy: -70.872278
			where:
				bonds (distance)  C4'-P  energy:  -16.535
				bonds (distance)  P-C4'  energy:  -15.539
				flat angles   C4'-P-C4'  energy:  -17.009
				flat angles    P-C4'-P   energy:   -7.757
				tors. eta vs tors. theta energy:  -14.032

		Dist. restrs. and SS energy:   10.602 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 82

Temperature: 0.985500

Total energy: -143.521126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -143.521126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -151.092119 (E_RNA)
		where:
			Base-Base interactions energy:  -81.758
			where:  short stacking energy:  -51.435 

			Base-Backbone interact. energy:   -0.171

			local  terms  energy: -69.231314
			where:
				bonds (distance)  C4'-P  energy:  -15.135
				bonds (distance)  P-C4'  energy:  -19.209
				flat angles   C4'-P-C4'  energy:  -14.451
				flat angles    P-C4'-P   energy:   -9.114
				tors. eta vs tors. theta energy:  -11.322

		Dist. restrs. and SS energy:    7.571 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.069 (S_LIMSPR_RNA)
=====================================
Write number: 83

Temperature: 0.981000

Total energy: -138.800089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -138.800089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -146.836875 (E_RNA)
		where:
			Base-Base interactions energy:  -84.750
			where:  short stacking energy:  -50.874 

			Base-Backbone interact. energy:   -0.361

			local  terms  energy: -62.476614
			where:
				bonds (distance)  C4'-P  energy:  -11.857
				bonds (distance)  P-C4'  energy:  -15.550
				flat angles   C4'-P-C4'  energy:  -15.048
				flat angles    P-C4'-P   energy:   -9.949
				tors. eta vs tors. theta energy:  -10.073

		Dist. restrs. and SS energy:    8.037 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.752 (S_LIMSPR_RNA)
=====================================
Write number: 84

Temperature: 0.976500

Total energy: -144.767254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -144.767254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -151.256998 (E_RNA)
		where:
			Base-Base interactions energy:  -82.184
			where:  short stacking energy:  -52.172 

			Base-Backbone interact. energy:   -0.363

			local  terms  energy: -68.710056
			where:
				bonds (distance)  C4'-P  energy:  -16.542
				bonds (distance)  P-C4'  energy:  -17.125
				flat angles   C4'-P-C4'  energy:  -16.377
				flat angles    P-C4'-P   energy:   -3.884
				tors. eta vs tors. theta energy:  -14.782

		Dist. restrs. and SS energy:    6.490 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 85

Temperature: 0.972000

Total energy: -136.761307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -136.761307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -147.351348 (E_RNA)
		where:
			Base-Base interactions energy:  -85.159
			where:  short stacking energy:  -56.348 

			Base-Backbone interact. energy:   -0.008

			local  terms  energy: -62.184222
			where:
				bonds (distance)  C4'-P  energy:   -9.195
				bonds (distance)  P-C4'  energy:  -17.080
				flat angles   C4'-P-C4'  energy:  -12.686
				flat angles    P-C4'-P   energy:   -6.378
				tors. eta vs tors. theta energy:  -16.846

		Dist. restrs. and SS energy:   10.590 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 86

Temperature: 0.967500

Total energy: -138.839050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -138.839050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -148.263202 (E_RNA)
		where:
			Base-Base interactions energy:  -76.959
			where:  short stacking energy:  -51.325 

			Base-Backbone interact. energy:   -0.315

			local  terms  energy: -70.989133
			where:
				bonds (distance)  C4'-P  energy:  -16.721
				bonds (distance)  P-C4'  energy:  -14.550
				flat angles   C4'-P-C4'  energy:  -15.134
				flat angles    P-C4'-P   energy:  -11.124
				tors. eta vs tors. theta energy:  -13.460

		Dist. restrs. and SS energy:    9.424 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 87

Temperature: 0.963000

Total energy: -133.584112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -133.584112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -138.935609 (E_RNA)
		where:
			Base-Base interactions energy:  -69.787
			where:  short stacking energy:  -49.737 

			Base-Backbone interact. energy:    0.676

			local  terms  energy: -69.825173
			where:
				bonds (distance)  C4'-P  energy:  -12.468
				bonds (distance)  P-C4'  energy:  -19.943
				flat angles   C4'-P-C4'  energy:  -14.933
				flat angles    P-C4'-P   energy:  -11.216
				tors. eta vs tors. theta energy:  -11.265

		Dist. restrs. and SS energy:    5.351 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 88

Temperature: 0.958500

Total energy: -141.279621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -141.279621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -146.239698 (E_RNA)
		where:
			Base-Base interactions energy:  -77.885
			where:  short stacking energy:  -46.175 

			Base-Backbone interact. energy:   -0.754

			local  terms  energy: -67.600564
			where:
				bonds (distance)  C4'-P  energy:  -17.128
				bonds (distance)  P-C4'  energy:  -18.576
				flat angles   C4'-P-C4'  energy:  -16.454
				flat angles    P-C4'-P   energy:   -6.176
				tors. eta vs tors. theta energy:   -9.267

		Dist. restrs. and SS energy:    4.960 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 89

Temperature: 0.954000

Total energy: -146.632016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -146.632016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -156.287958 (E_RNA)
		where:
			Base-Base interactions energy:  -90.196
			where:  short stacking energy:  -52.777 

			Base-Backbone interact. energy:    0.321

			local  terms  energy: -66.461676
			where:
				bonds (distance)  C4'-P  energy:  -13.508
				bonds (distance)  P-C4'  energy:  -17.608
				flat angles   C4'-P-C4'  energy:  -14.846
				flat angles    P-C4'-P   energy:   -8.166
				tors. eta vs tors. theta energy:  -12.334

		Dist. restrs. and SS energy:    9.656 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.049 (S_LIMSPR_RNA)
=====================================
Write number: 90

Temperature: 0.949500

Total energy: -132.674105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -132.674105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -139.303175 (E_RNA)
		where:
			Base-Base interactions energy:  -71.644
			where:  short stacking energy:  -43.860 

			Base-Backbone interact. energy:   -1.659

			local  terms  energy: -66.000728
			where:
				bonds (distance)  C4'-P  energy:  -17.855
				bonds (distance)  P-C4'  energy:  -15.455
				flat angles   C4'-P-C4'  energy:  -15.934
				flat angles    P-C4'-P   energy:   -5.254
				tors. eta vs tors. theta energy:  -11.503

		Dist. restrs. and SS energy:    6.629 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 91

Temperature: 0.945000

Total energy: -133.073205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -133.073205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -138.611491 (E_RNA)
		where:
			Base-Base interactions energy:  -77.022
			where:  short stacking energy:  -50.687 

			Base-Backbone interact. energy:   -0.668

			local  terms  energy: -60.921184
			where:
				bonds (distance)  C4'-P  energy:  -13.678
				bonds (distance)  P-C4'  energy:  -18.262
				flat angles   C4'-P-C4'  energy:  -11.328
				flat angles    P-C4'-P   energy:   -3.470
				tors. eta vs tors. theta energy:  -14.183

		Dist. restrs. and SS energy:    5.538 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 92

Temperature: 0.940500

Total energy: -127.370614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -127.370614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -134.545949 (E_RNA)
		where:
			Base-Base interactions energy:  -76.660
			where:  short stacking energy:  -48.529 

			Base-Backbone interact. energy:    2.026

			local  terms  energy: -60.710805
			where:
				bonds (distance)  C4'-P  energy:  -15.045
				bonds (distance)  P-C4'  energy:  -18.253
				flat angles   C4'-P-C4'  energy:  -11.747
				flat angles    P-C4'-P   energy:   -8.984
				tors. eta vs tors. theta energy:   -6.682

		Dist. restrs. and SS energy:    7.175 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.799 (S_LIMSPR_RNA)
=====================================
Write number: 93

Temperature: 0.936000

Total energy: -134.772603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -134.772603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -141.150141 (E_RNA)
		where:
			Base-Base interactions energy:  -74.611
			where:  short stacking energy:  -58.840 

			Base-Backbone interact. energy:   -0.613

			local  terms  energy: -65.926610
			where:
				bonds (distance)  C4'-P  energy:  -16.141
				bonds (distance)  P-C4'  energy:  -12.335
				flat angles   C4'-P-C4'  energy:  -17.870
				flat angles    P-C4'-P   energy:   -9.293
				tors. eta vs tors. theta energy:  -10.287

		Dist. restrs. and SS energy:    6.378 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 94

Temperature: 0.931500

Total energy: -131.328908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -131.328908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -141.848807 (E_RNA)
		where:
			Base-Base interactions energy:  -72.457
			where:  short stacking energy:  -53.843 

			Base-Backbone interact. energy:   -0.840

			local  terms  energy: -68.552129
			where:
				bonds (distance)  C4'-P  energy:  -17.570
				bonds (distance)  P-C4'  energy:  -15.378
				flat angles   C4'-P-C4'  energy:  -16.513
				flat angles    P-C4'-P   energy:   -8.601
				tors. eta vs tors. theta energy:  -10.492

		Dist. restrs. and SS energy:   10.520 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 95

Temperature: 0.927000

Total energy: -130.532664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -130.532664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -137.951344 (E_RNA)
		where:
			Base-Base interactions energy:  -73.655
			where:  short stacking energy:  -47.711 

			Base-Backbone interact. energy:   -0.384

			local  terms  energy: -65.962635
			where:
				bonds (distance)  C4'-P  energy:  -18.480
				bonds (distance)  P-C4'  energy:  -17.698
				flat angles   C4'-P-C4'  energy:  -13.701
				flat angles    P-C4'-P   energy:  -11.462
				tors. eta vs tors. theta energy:   -4.622

		Dist. restrs. and SS energy:    7.419 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    2.050 (S_LIMSPR_RNA)
=====================================
Write number: 96

Temperature: 0.922500

Total energy: -132.902972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -132.902972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -139.285439 (E_RNA)
		where:
			Base-Base interactions energy:  -80.985
			where:  short stacking energy:  -39.217 

			Base-Backbone interact. energy:   -0.776

			local  terms  energy: -57.524122
			where:
				bonds (distance)  C4'-P  energy:  -12.317
				bonds (distance)  P-C4'  energy:  -14.567
				flat angles   C4'-P-C4'  energy:  -12.370
				flat angles    P-C4'-P   energy:  -11.704
				tors. eta vs tors. theta energy:   -6.566

		Dist. restrs. and SS energy:    6.382 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 97

Temperature: 0.918000

Total energy: -142.503889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -142.503889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -154.288760 (E_RNA)
		where:
			Base-Base interactions energy:  -89.238
			where:  short stacking energy:  -49.219 

			Base-Backbone interact. energy:   -0.876

			local  terms  energy: -64.174623
			where:
				bonds (distance)  C4'-P  energy:  -11.926
				bonds (distance)  P-C4'  energy:  -16.853
				flat angles   C4'-P-C4'  energy:  -13.807
				flat angles    P-C4'-P   energy:  -11.841
				tors. eta vs tors. theta energy:   -9.747

		Dist. restrs. and SS energy:   11.785 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 98

Temperature: 0.913500

Total energy: -156.771370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -156.771370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -165.219124 (E_RNA)
		where:
			Base-Base interactions energy:  -97.446
			where:  short stacking energy:  -50.562 

			Base-Backbone interact. energy:   -0.417

			local  terms  energy: -67.356023
			where:
				bonds (distance)  C4'-P  energy:  -13.562
				bonds (distance)  P-C4'  energy:  -19.284
				flat angles   C4'-P-C4'  energy:  -11.368
				flat angles    P-C4'-P   energy:  -12.118
				tors. eta vs tors. theta energy:  -11.025

		Dist. restrs. and SS energy:    8.448 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:   -0.000 (S_LIMSPR_RNA)
=====================================
Write number: 99

Temperature: 0.909000

Total energy: -155.864355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -155.864355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -164.030235 (E_RNA)
		where:
			Base-Base interactions energy:  -96.128
			where:  short stacking energy:  -53.775 

			Base-Backbone interact. energy:   -1.833

			local  terms  energy: -67.055814
			where:
				bonds (distance)  C4'-P  energy:  -14.692
				bonds (distance)  P-C4'  energy:  -19.292
				flat angles   C4'-P-C4'  energy:  -13.328
				flat angles    P-C4'-P   energy:   -5.005
				tors. eta vs tors. theta energy:  -14.738

		Dist. restrs. and SS energy:    8.166 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.987 (S_LIMSPR_RNA)
=====================================
Write number: 100

Temperature: 0.904500

Total energy: -161.923594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -161.923594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -170.991591 (E_RNA)
		where:
			Base-Base interactions energy: -103.017
			where:  short stacking energy:  -55.597 

			Base-Backbone interact. energy:   -1.623

			local  terms  energy: -66.373351
			where:
				bonds (distance)  C4'-P  energy:  -10.995
				bonds (distance)  P-C4'  energy:  -18.780
				flat angles   C4'-P-C4'  energy:  -17.147
				flat angles    P-C4'-P   energy:   -8.104
				tors. eta vs tors. theta energy:  -11.348

		Dist. restrs. and SS energy:    9.068 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    0.022 (S_LIMSPR_RNA)
=====================================
Write number: 101

Temperature: 0.900000

Total energy: -151.424400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:

	RNA energy: -151.424400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
	where:
		Molecular energy: -152.835217 (E_RNA)
		where:
			Base-Base interactions energy:  -90.292
			where:  short stacking energy:  -50.541 

			Base-Backbone interact. energy:   -0.099

			local  terms  energy: -64.334644
			where:
				bonds (distance)  C4'-P  energy:  -11.625
				bonds (distance)  P-C4'  energy:  -16.658
				flat angles   C4'-P-C4'  energy:  -16.651
				flat angles    P-C4'-P   energy:   -8.118
				tors. eta vs tors. theta energy:  -11.283

		Dist. restrs. and SS energy:    1.411 (S_DIST_RNA)

		chem. prob. restrs. energy:    0.000 (S_CHEM_RNA)

		Limit. sphere exceed penalty:    1.890 (S_LIMSPR_RNA)


.writing output
current total energy: -134.019831
recalc. total energy: -134.019831
numberOfNucleotides: 23
initial temperature kT: 1.350000
moves confirmed at first:  3249620
moves confirmed later: 3739429
all moves confirmed: 6989049
percent of confirmed moves: 4.368156
out arg RESULTS//1/G-quadruplex-ba4c09b6_01
nucl1: 0, chain1: A, <--->  nucl2: 2, chain2: A type of interaction: GA_SHt
nucl1: 0, chain1: A, <--->  nucl2: 3, chain2: A type of interaction: GG_WHc
nucl1: 0, chain1: A, <--->  nucl2: 9, chain2: A type of interaction: GG_HWc
nucl1: 1, chain1: A, <--->  nucl2: 4, chain2: A type of interaction: GG_WHc
nucl1: 1, chain1: A, <--->  nucl2: 10, chain2: A type of interaction: GG_HWc
nucl1: 3, chain1: A, <--->  nucl2: 6, chain2: A type of interaction: GG_WHc
nucl1: 4, chain1: A, <--->  nucl2: 7, chain2: A type of interaction: GG_WHc
nucl1: 6, chain1: A, <--->  nucl2: 8, chain2: A type of interaction: GA_SHt
nucl1: 6, chain1: A, <--->  nucl2: 9, chain2: A type of interaction: GG_WHc
nucl1: 7, chain1: A, <--->  nucl2: 10, chain2: A type of interaction: GG_WHc

 Time of doing 1600000 iterations:  450.774 seconds