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

Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered

.reading parameteres

setting random seed = 1
initiating replica nr:  1
before entireStruct->initialize(input)

reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-d02ff126/inputs/struct.pdb

number of recognized chains: 1

chain 'A' contains: 18 residues
chain 'A' is classfied as RNA


number of   RNA   chain(s) to be parsed: 1

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 18 nucleotides

unrecognized type of nucleotide, name: t
nucleotide not initiated
unrecognized type of nucleotide, name: t
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated
unrecognized type of nucleotide, name: c
nucleotide not initiated
unrecognized type of nucleotide, name: g
nucleotide not initiated

ERROR: program terminated due to 18 error(s) found while reading input pdb fileout arg RESULTS//1/hi-d02ff126_01