Using VFLP

The usage of VFLP is the same as the usage of VirtualFlow in general, which is described here.

All specific options/features which one can activate/configure in VFLP are described in the control file tools/templates/all.ctrl, where the values for all of them can be specified. These options/features include:

• Neutralization

• Desalting

• Tautomerization

• Protonation

• 3D Conformer Generation

• Target Format Generation