X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fenergy_p_new.F;h=792804a58825a1ee062f176435f6eff6cb35d744;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=0b25cb25ce21ede4bdf24948f0972ed25adce2b7;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M/energy_p_new.F b/source/unres/src_MD-M/energy_p_new.F index 0b25cb2..792804a 100644 --- a/source/unres/src_MD-M/energy_p_new.F +++ b/source/unres/src_MD-M/energy_p_new.F @@ -240,7 +240,11 @@ C If performing constraint dynamics, call the constraint energy C after the equilibration time if(usampl.and.totT.gt.eq_time) then call EconstrQ - call Econstr_back + if (loc_qlike) then + call Econstr_back_qlike + else + call Econstr_back + endif else Uconst=0.0d0 Uconst_back=0.0d0