X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=a2eb0f9288190efdc4d89a714dd53ea4ad1afcad;hb=66c6ec6f8fcb5ae3ff40e52757f511c57dad02c9;hp=25570519b1f550361e361855bb6ad5b5f2450a53;hpb=bd2fffd06daaa6c91a52b979d30df91948bb382e;p=unres.git diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index 2557051..a2eb0f9 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -134,7 +134,7 @@ C cmc cmc Sep-06: egb takes care of dynamic ss bonds too cmc - if (dyn_ss) call dyn_set_nss +c if (dyn_ss) call dyn_set_nss c print *,"Processor",myrank," computed USCSC" #ifdef TIMING @@ -331,6 +331,7 @@ C energia(23)=evdw_m c print *," Processor",myrank," calls SUM_ENERGY" call sum_energy(energia,.true.) + if (dyn_ss) call dyn_set_nss c print *," Processor",myrank," left SUM_ENERGY" #ifdef TIMING #ifdef MPI