X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Finitialize_p.F;h=a7ee3b733fe5af3e9a71fc331db633f9946e9180;hb=ecf5b7759f8fd1e9656b3bbbe8b4f05a81410aa2;hp=565ccaf0bfef32d8fc44bb2ecb11eda6a3e675bc;hpb=f6ccad4567590373ee36b64ca7780a6fcd9161c9;p=unres.git diff --git a/source/unres/src_MD/initialize_p.F b/source/unres/src_MD/initialize_p.F index 565ccaf..a7ee3b7 100644 --- a/source/unres/src_MD/initialize_p.F +++ b/source/unres/src_MD/initialize_p.F @@ -565,9 +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-2,itau_start,itau_end) + itau_start=itau_start+2 + itau_end=itau_end+2 call int_bounds(nres-3,iphi1_start,iphi1_end) iphi1_start=iphi1_start+3 iphi1_end=iphi1_end+3 @@ -1094,7 +1094,7 @@ c write (iout,*) "MPI_ROTAT2",MPI_ROTAT2 idihconstr_end=ndih_constr iphid_start=iphi_start iphid_end=iphi_end-1 - itau_start=4 + itau_start=3 itau_end=nres ibond_start=2 ibond_end=nres-1