X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fmolread_zs.F;h=48ce1893d4a8d1188e08fbb0fcc7a8ea380cc41f;hb=7fcc0efe632e299b8b944facdca6b9320c8c78da;hp=dc71f06eb174fbe74341b922bad8b39ab3c8bd02;hpb=2d66111aef48a7db8a87b9f9b3882d640ea53435;p=unres.git diff --git a/source/wham/src-M/molread_zs.F b/source/wham/src-M/molread_zs.F index dc71f06..48ce189 100644 --- a/source/wham/src-M/molread_zs.F +++ b/source/wham/src-M/molread_zs.F @@ -52,9 +52,9 @@ C Convert sequence to numeric code write (iout,'(20i4)') (itype(i),i=1,nres) do i=1,nres-1 #ifdef PROCOR - if (itype(i).eq.21 .or. itype(i+1).eq.21) then + if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then #else - if (itype(i).eq.21) then + if (itype(i).eq.ntyp1) then #endif itel(i)=0 #ifdef PROCOR @@ -91,8 +91,8 @@ C Convert sequence to numeric code nnt=1 nct=nres - if (itype(1).eq.21) nnt=2 - if (itype(nres).eq.21) nct=nct-1 + if (itype(1).eq.ntyp1) nnt=2 + if (itype(nres).eq.ntyp1) nct=nct-1 write(iout,*) 'NNT=',NNT,' NCT=',NCT call setup_var call init_int_table