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MCCE/Analysis

< MCCE

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List of output
acc.atm
acc.res
energies.opp - A binary file which records all conformer-conformer pairwise interactions
entropy.out
fort.38 - List of Boltzmann occupancy of all conformers
head1.lst
head2.lst
head3.lst
hvrot.pdb
mc_out
pK.out - List of calculated pKas of all ionizable residues
rot_stat
step1_out.pdb
step2_out.full
step2_out.pdb
step3_out.pdb
sum_crg.out - List of Boltzmann averaged charge of all ionizable residues

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