serializer->doInt(reinterpret_cast<int*>(&fepvals->softcoreFunction));
serializer->doReal(&fepvals->scGapsysScaleLinpointLJ);
serializer->doReal(&fepvals->scGapsysScaleLinpointQ);
- serializer->doReal(&fepvals->scSigmaLJGapsys);
+ serializer->doReal(&fepvals->scGapsysSigmaLJ);
}
else
{
fepvals->softcoreFunction = SoftcoreType::Beutler;
fepvals->scGapsysScaleLinpointLJ = 0.85;
fepvals->scGapsysScaleLinpointQ = 0.3;
- fepvals->scSigmaLJGapsys = 0.3;
+ fepvals->scGapsysSigmaLJ = 0.3;
}
/* handle lambda_neighbors */