//! The specific soft-core function to use
SoftcoreType softcoreFunction = SoftcoreType::Beutler;
//! scale for the linearization point for the vdw interaction with gapsys soft-core
- real scScaleLinpointLJGapsys = 0.85;
+ real scGapsysScaleLinpointLJ = 0.85;
//! scale for the linearization point for the coulomb interaction with gapsys soft-core
- real scScaleLinpointQGapsys = 0.3;
+ real scGapsysScaleLinpointQ = 0.3;
//! lower bound for c12/c6 in gapsys soft-core
real scSigmaLJGapsys = 0.3;
//! Whether to print the dvdl term associated with this term; if it is not specified as separate, it is lumped with the FEP term