program ENE_OPT c Optimize the UNRES energy function by minimization of a quartic target c function or by the VMC method. implicit none include "DIMENSIONS.ZSCOPT" #ifdef MPI include "mpif.h" integer IERROR #endif include "COMMON.IOUNITS" include "COMMON.OPTIM" integer nvarr,iparm double precision x(max_paropt) call maxlik_init(nvarr,x) call maxlik_optim(nvarr,x) call bilans #ifdef MPI call MPI_Finalize( IERROR ) #endif stop end