real bU_bin_limit = 50;
real bU_logV_bin_limit = bU_bin_limit + 10;
+ if (inputrec->cutoff_scheme == ecutsVERLET)
+ {
+ gmx_fatal(FARGS, "TPI does not work (yet) with the Verlet cut-off scheme");
+ }
+
nnodes = cr->nnodes;
top = gmx_mtop_generate_local_top(top_global, inputrec);