X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Finitialize_p.F;h=515201d24b9e49399c0c4a33b916aad5004b2b17;hb=b4831659636408af9cba358145dfbda4d738e581;hp=e1905f8184efe79bed1d8c60981acd8825168ca1;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/cluster/wham/src-M/initialize_p.F b/source/cluster/wham/src-M/initialize_p.F index e1905f8..515201d 100644 --- a/source/cluster/wham/src-M/initialize_p.F +++ b/source/cluster/wham/src-M/initialize_p.F @@ -341,7 +341,7 @@ cd write (iout,*) 'i=',i,' scheck=',scheck,' jj=',jj nint_gr(i)=1 istart(i,1)=i+1 iend(i,1)=nct - ind_scint=int_scint+nct-i + ind_scint=ind_scint+nct-i #endif endif #ifdef MPL @@ -475,6 +475,9 @@ C Partition local interactions call int_bounds(nct-nnt-2,iphi_start,iphi_end) iphi_start=iphi_start+nnt+2 iphi_end=iphi_end+nnt+2 + call int_bounds(nres-3,itau_start,itau_end) + itau_start=itau_start+3 + itau_end=itau_end+3 if (lprint) then write (iout,*) 'Processor:',MyID, & ' loc_start',loc_start,' loc_end',loc_end, @@ -498,6 +501,8 @@ C Partition local interactions ithet_end=nres iphi_start=nnt+3 iphi_end=nct + itau_start=4 + itau_end=nres #endif return end