X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmolread_zs.F;h=a7166b726d322729d1ecd28c150403cecbe35d36;hb=34d9af87d8a30caeb12b841c0310ced100c44970;hp=431680df45ddbd689bd5060d605f932c11e881ed;hpb=14fbd3418f283460460d74868e49e7e34e87c6f4;p=unres.git diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F index 431680d..a7166b7 100644 --- a/source/wham/src/molread_zs.F +++ b/source/wham/src/molread_zs.F @@ -204,6 +204,21 @@ C bridging residues. enddo endif endif + if (ns.gt.0.and.dyn_ss) then + do i=nss+1,nhpb + ihpb(i-nss)=ihpb(i) + jhpb(i-nss)=jhpb(i) + forcon(i-nss)=forcon(i) + dhpb(i-nss)=dhpb(i) + enddo + nhpb=nhpb-nss + nss=0 + call hpb_partition + do i=1,ns + dyn_ss_mask(iss(i))=.true. +c write(iout,*) i,iss(i),dyn_ss_mask(iss(i)),"ATU" + enddo + endif return end c------------------------------------------------------------------------------