| project | initial pdb | psfgen | minimization | psfgen | solvation/ionization | box size & center |
| native_qb | 1o9y.pdb->remove water->align->rename HIS to HSE->separate chains | psfgen.com? | - | - | box size: use molecular dimensions boundary: 2.4A box padding: 15A, Cfinal=0.1M NaCl? x Na & y Cl were added, charge before=-20e, charge after=1 | |
| native_flin | 1o6a.pdb->remove water, multiple conformations & rename MSE to MET->align->rename HIS to HSE->separate chains | psfgen.com? | - | - | Cfinal=0.1M NaCl?, 14 Na & 7 Cl were added, charge before=-7e, charge after=2.5 | (89.96, 66.47, 64.84) & (3.27, -1.29, -0.76) |
| AD_dimer | ||||||
| BC_dimer | ||||||
| T40I_qb | ||||||
| T40Y_qb | ||||||
| T40W_qb | ||||||
| I41W+qb |
![[Home]](/wiki.png)