Preview

OPESwt.cpp

36.5 kB
ala2
- Build-fes_from_prob.py
  
  2.0 kB
- get_fes_running-metad.sh
  
  1.2 kB
- get_fes_running-opes.sh
  
  1.2 kB
- inputs
  - input.0.tpr
    
    12.6 kB
  - input.1.tpr
    
    12.6 kB
  - input.2.tpr
    
    12.6 kB
  - input.3.tpr
    
    12.6 kB
  - input.4.tpr
    
    12.6 kB
  - input.5.tpr
    
    12.6 kB
  - input.6.tpr
    
    12.6 kB
  - input.7.tpr
    
    12.6 kB
  - input.8.tpr
    
    12.6 kB
  - input.9.tpr
    
    12.6 kB
- plumed-metad.dat
  
  396 Bytes
- plumed-opes.dat
  
  372 Bytes
- queue_gromax.sh
  
  1.9 kB
ala4
- Reweight-ala4.py
  
  1.7 kB
- input.tpr
  
  18.1 kB
- plumed-metad.dat
  
  443 Bytes
- plumed-opes.dat
  
  678 Bytes
model
- inputs
  - md_input.0.dat
    
    1.1 kB
  - md_input.1.dat
    
    1.1 kB
  - md_input.2.dat
    
    1.1 kB
  - md_input.3.dat
    
    1.1 kB
  - md_input.4.dat
    
    1.1 kB
  - md_input.5.dat
    
    1.1 kB
  - md_input.6.dat
    
    1.1 kB
  - md_input.7.dat
    
    1.1 kB
  - md_input.8.dat
    
    1.1 kB
  - md_input.9.dat
    
    1.1 kB
  - md_potential.dat
    
    894 Bytes
- metad-model
  - Build-fes_running-metad.py
    
    3.3 kB
  - Reweight-multi-metad.py
    
    3.1 kB
  - analize_all.sh
    
    799 Bytes
  - loop_all.sh
    
    201 Bytes
  - plumed.dat
    
    365 Bytes
  - queue_md.sh
    
    1.3 kB
- opes-model
  - Build-fes_running.py
    
    5.8 kB
  - Reweight-multi.py
    
    2.9 kB
  - analize_all.sh
    
    787 Bytes
  - loop_all.sh
    
    201 Bytes
  - plumed.dat
    
    259 Bytes
  - queue_md.sh
    
    1.3 kB
- ref_fes-model.data
  
  4.3 kB
- static-model
  - Reweight-multi.py
    
    2.9 kB
  - analize_all.sh
    
    827 Bytes
  - loop_all.sh
    
    201 Bytes
  - modelFES.grid
    
    43.4 kB
  - plumed.dat
    
    225 Bytes
  - queue_md.sh
    
    1.3 kB

OPES.zip