X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Finitialize_p.F;h=224cb21c9002644218333756fae51f0a027a4baf;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=37e0bf9c10e7ea2030a63f561885a7a065b73f56;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/cluster/wham/src/initialize_p.F b/source/cluster/wham/src/initialize_p.F index 37e0bf9..224cb21 100644 --- a/source/cluster/wham/src/initialize_p.F +++ b/source/cluster/wham/src/initialize_p.F @@ -155,6 +155,9 @@ C Initialize the bridge arrays ihpb(i)=0 jhpb(i)=0 enddo + do i=1,maxres + dyn_ss_mask(i)=.false. + enddo C C Initialize timing. C @@ -291,6 +294,7 @@ cd & (ihpb(i),jhpb(i),i=1,nss) do ii=1,nss if (ihpb(ii).eq.i+nres) then scheck=.true. + if (dyn_ss) go to 10 jj=jhpb(ii)-nres goto 10 endif @@ -341,7 +345,7 @@ 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