if (fep->softcoreFunction == SoftcoreType::Gapsys)
{
- if (fep->sc_alpha < 0.0)
+ if (fep->scScaleLinpointQGapsys < 0.0)
{
sprintf(warn_buf,
- "sc_alpha is equal %g but must be >= 0 when used with sc_function=gapsys.",
- fep->sc_alpha);
+ "sc_scale_linpoint_Q_gapsys is equal %g but must be >= 0",
+ fep->scScaleLinpointQGapsys);
warning_note(wi, warn_buf);
}
- if ((fep->sc_sigma < 0.0) || (fep->sc_sigma >= 1.0))
+ if ((fep->scScaleLinpointLJGapsys < 0.0) || (fep->scScaleLinpointLJGapsys >= 1.0))
{
sprintf(warn_buf,
- "sc_sigma is equal %g but must be in [0,1) when used with "
+ "sc_scale_linpoint_LJ_gapsys is equal %g but must be in [0,1) when used "
+ "with "
"sc_function=gapsys.",
- fep->sc_sigma);
+ fep->scScaleLinpointLJGapsys);
warning_note(wi, warn_buf);
}
}