Custom lambda values and FEP for charged ligands

[nvthaomy]

Hi,

Is it correct that the lambda values are now fixed to 21 for complex vdw and 11 for the remaining contributions (complex electrostatics, solvent electrostatics, and complex restraints terms)? In case of users want to input different lambda schemes for various targets, could you recommend a clean way to do so?

Could you confirm if charged ligands are supported? If so, how is the non-zero net charge taken care of when turning off the electrostatics?

Thank you very much for sharing this open-source package with the community!