X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc%2Finitialize_p.F;fp=source%2Fwham%2Fsrc%2Finitialize_p.F;h=3150e4e43fed28cd4883132d1d3f5d6addac512e;hb=462b4b0ab826c82da8fbe9e4425f5329306b1952;hp=f975efbb126e9fa420c58005eba9f64361de3bce;hpb=573519d92765e09af5d748a8ac827a9aa2ef0a57;p=unres.git diff --git a/source/wham/src/initialize_p.F b/source/wham/src/initialize_p.F index f975efb..3150e4e 100644 --- a/source/wham/src/initialize_p.F +++ b/source/wham/src/initialize_p.F @@ -187,6 +187,9 @@ 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 @@ -328,6 +331,7 @@ cd write (iout,*) 'ns=',ns,' nss=',nss,' ihpb,jhpb', cd & (ihpb(i),jhpb(i),i=1,nss) do i=nnt,nct-1 scheck=.false. + if (dyn_ss) go to 10 do ii=1,nss if (ihpb(ii).eq.i+nres) then scheck=.true. @@ -497,7 +501,7 @@ cd write (iout,*) 'i.gt.nct-iscp' endif enddo ! i #endif - if (lprint) then + if (lprint) then write (iout,'(a)') 'SC-p interaction array:' do i=iatscp_s,iatscp_e write (iout,'(i3,2(2x,2i3))')