real wl_ratio; /* ratio between largest and smallest number for freezing the weights */
real init_wl_delta; /* starting delta for wang-landau */
gmx_bool bWLoneovert; /* use one over t convergece for wang-landau when the delta get sufficiently small */
- gmx_bool bInit_weights; /* did we initialize the weights? */
+ gmx_bool bInit_weights; /* did we initialize the weights? TODO: REMOVE FOR 5.0, no longer needed with new logic */
real mc_temp; /* To override the main temperature, or define it if it's not defined */
real *init_lambda_weights; /* user-specified initial weights to start with */
} t_expanded;