X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2Finitialize_p.F;h=8cca656ca44200bc2ca480932236dad6d1967f05;hb=aa4540154949fdfc9ab63442eb6fea09d6c589ad;hp=8cc22789e9566123c0f889a2ec4a9f4b979ef87f;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MIN/initialize_p.F b/source/unres/src_MIN/initialize_p.F index 8cc2278..8cca656 100644 --- a/source/unres/src_MIN/initialize_p.F +++ b/source/unres/src_MIN/initialize_p.F @@ -564,6 +564,9 @@ 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 @@ -1090,6 +1093,8 @@ 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