X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Finitialize_p.F;h=d2d8f9a66e3e1cf2f86660280792857252626c93;hb=34afc6bc75a1158d5a5a7f08c5a7d84c8c1fb7c4;hp=b3affabcceb5e89ff9a9a8a5068e6e2508f4aa0f;hpb=922032947380d6b310d998e1f78d82191fecd900;p=unres.git diff --git a/source/unres/src_CSA/initialize_p.F b/source/unres/src_CSA/initialize_p.F index b3affab..d2d8f9a 100644 --- a/source/unres/src_CSA/initialize_p.F +++ b/source/unres/src_CSA/initialize_p.F @@ -565,6 +565,9 @@ C Partition local interactions iphi_end=iturn3_end+2 iturn3_start=iturn3_start-1 iturn3_end=iturn3_end-1 + call int_bounds(nres-3,itau_start,itau_end) + itau_start=itau_start+3 + itau_end=itau_end+3 call int_bounds(nres-3,iphi1_start,iphi1_end) iphi1_start=iphi1_start+3 iphi1_end=iphi1_end+3 @@ -1091,6 +1094,8 @@ c write (iout,*) "MPI_ROTAT2",MPI_ROTAT2 idihconstr_end=ndih_constr iphid_start=iphi_start iphid_end=iphi_end-1 + itau_start=4 + itau_end=nres ibond_start=2 ibond_end=nres-1 ibondp_start=nnt+1