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README

7.4 kB
aladip
- FES_03to03_wat
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  - gromacs_commands.sh
    
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  - gromacs_commands.sh
    
    134 Bytes
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  - plumed.dat
    
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  - gromacs_commands.sh
    
    134 Bytes
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  - gromacs_commands.sh
    
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  - gromacs_commands.sh
    
    134 Bytes
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    2.7 kB
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  - plumed.dat
    
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    134 Bytes
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    65.8 kB
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  - plumed.dat
    
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  - gromacs_commands.sh
    
    134 Bytes
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    2.7 kB
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    65.8 kB
  - npt.gro
    
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  - plumed.dat
    
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  - gromacs_commands.sh
    
    134 Bytes
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    134 Bytes
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  - plumed.dat
    
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  - gromacs_commands.sh
    
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  - plumed.dat
    
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  - gromacs_commands.sh
    
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    134 Bytes
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    134 Bytes
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  - topol.top
    
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    134 Bytes
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    134 Bytes
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    134 Bytes
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    8.1 MB
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    134 Bytes
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    2.7 kB
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    183.1 kB
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    134 Bytes
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    183.1 kB
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    113.4 kB
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    134 Bytes
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    112.6 kB
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- diffs.txt
  
  640 Bytes
- fes
  - control
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      494.8 kB
    - fes_94_1.txt
      
      437.4 kB
    - fes_96_1.txt
      
      479.1 kB
    - fes_99_1.txt
      
      416.8 kB
    - fes_99sb_1.txt
      
      435.9 kB
    - fes_99sbildn_1.txt
      
      435.7 kB
    - fes_gs_1.txt
      
      465.7 kB
  - fes_03to03.txt
    
    505.4 kB
  - fes_03to94.txt
    
    456.3 kB
  - fes_03to96.txt
    
    485.1 kB
  - fes_03to99.txt
    
    441.9 kB
  - fes_03to99sb.txt
    
    497.5 kB
  - fes_03to99sbildn.txt
    
    495.3 kB
  - fes_03togs.txt
    
    496.6 kB
  - fes_94to03.txt
    
    481.0 kB
  - fes_94to94.txt
    
    437.7 kB
  - fes_94to96.txt
    
    472.3 kB
  - fes_94to99.txt
    
    419.8 kB
  - fes_94to99sb.txt
    
    491.0 kB
  - fes_94to99sbildn.txt
    
    487.9 kB
  - fes_94togs.txt
    
    482.7 kB
  - fes_96to03.txt
    
    499.2 kB
  - fes_96to94.txt
    
    446.2 kB
  - fes_96to96.txt
    
    482.3 kB
  - fes_96to99.txt
    
    442.7 kB
  - fes_96to99sb.txt
    
    474.4 kB
  - fes_96to99sbildn.txt
    
    502.1 kB
  - fes_96togs.txt
    
    473.3 kB
  - fes_99sbildnto03.txt
    
    425.9 kB
  - fes_99sbildnto94.txt
    
    423.0 kB
  - fes_99sbildnto96.txt
    
    434.3 kB
  - fes_99sbildnto99.txt
    
    408.4 kB
  - fes_99sbildnto99sb.txt
    
    433.5 kB
  - fes_99sbildnto99sbildn.txt
    
    437.6 kB
  - fes_99sbildntogs.txt
    
    439.2 kB
  - fes_99sbto03.txt
    
    424.9 kB
  - fes_99sbto94.txt
    
    422.0 kB
  - fes_99sbto96.txt
    
    433.9 kB
  - fes_99sbto99.txt
    
    409.1 kB
  - fes_99sbto99sb.txt
    
    438.7 kB
  - fes_99sbto99sbildn.txt
    
    438.8 kB
  - fes_99sbtogs.txt
    
    443.9 kB
  - fes_99to03.txt
    
    463.7 kB
  - fes_99to94.txt
    
    452.8 kB
  - fes_99to96.txt
    
    460.1 kB
  - fes_99to99.txt
    
    416.9 kB
  - fes_99to99sb.txt
    
    480.9 kB
  - fes_99to99sbildn.txt
    
    479.3 kB
  - fes_99togs.txt
    
    476.8 kB
  - fes_gsto03.txt
    
    506.0 kB
  - fes_gsto94.txt
    
    440.2 kB
  - fes_gsto96.txt
    
    486.3 kB
  - fes_gsto99.txt
    
    434.7 kB
  - fes_gsto99sb.txt
    
    504.7 kB
  - fes_gsto99sbildn.txt
    
    502.0 kB
  - fes_gstogs.txt
    
    467.1 kB
- rmse.R
  
  1.3 kB
imatinib
- correction
  - MOL_GMX.top
    
    55.6 kB
  - gromacs.sh
    
    148 Bytes
  - mtd.mdp
    
    2.3 kB
  - npt.cpt
    
    65.7 kB
  - npt.gro
    
    183.3 kB
  - plumed.dat
    
    159 Bytes
  - reference.pdb
    
    152.9 kB
- without_correction
  - MOL_GMX.top
    
    55.6 kB
  - mtd.mdp
    
    2.3 kB
  - npt.cpt
    
    65.7 kB
  - npt.gro
    
    183.3 kB
md5sum.txt

32.4 kB

propertymapff.zip