X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Fread_coords.F;fp=source%2Fcluster%2Fwham%2Fsrc-HCD%2Fread_coords.F;h=09af6e6521d5b6b6f7217bc55d2e0b29499c0876;hb=4edb7c3bb263adb587d34893f40c4e31296e1279;hp=20abce5a9e6b279f92df39e45cedafe75c29ca02;hpb=43dfdc33f5b338546258b5a882326f97a76b5bd4;p=unres.git diff --git a/source/cluster/wham/src-HCD/read_coords.F b/source/cluster/wham/src-HCD/read_coords.F index 20abce5..09af6e6 100644 --- a/source/cluster/wham/src-HCD/read_coords.F +++ b/source/cluster/wham/src-HCD/read_coords.F @@ -221,11 +221,11 @@ c call flush(iout) do k=1,nss call xdrfint(ixdrf, idssb(k), iret) call xdrfint(ixdrf, jdssb(k), iret) - ihpb(k)=iss(idssb(k)-nres)+nres - jhpb(k)=iss(jdssb(k)-nres)+nres + ihpb(k)=iss(idssb(k))+nres + jhpb(k)=iss(jdssb(k))+nres #ifdef DEBUG - write (iout,*) "jj",jj+1," dyn_ss:",idssb(k)-nres, - & jdssb(k)-nres,ihpb(k),jhpb(k) + write (iout,*) "jj",jj+1," dyn_ss:",idssb(k), + & jdssb(k),ihpb(k),jhpb(k) #endif enddo else @@ -262,11 +262,11 @@ c write (iout,*) "nss",nss do k=1,nss call xdrfint(ixdrf, idssb(k), iret) call xdrfint(ixdrf, jdssb(k), iret) - ihpb(k)=iss(idssb(k)-nres)+nres - jhpb(k)=iss(jdssb(k)-nres)+nres + ihpb(k)=iss(idssb(k))+nres + jhpb(k)=iss(jdssb(k))+nres #ifdef DEBUG - write (iout,*) "jj",jj+1," dyn_ss:",idssb(k)-nres, - & jdssb(k)-nres,ihpb(k),jhpb(k) + write (iout,*) "jj",jj+1," dyn_ss:",idssb(k), + & jdssb(k),ihpb(k),jhpb(k) #endif enddo else