X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=38c79ccff38719c296501e2bd94f9ae649f9cd62;hb=bf8b3ab324569ca7ae7bb9045ad9358f6826a150;hp=1d6d0828ba4c4b03220846673ff63ce33e581e4a;hpb=492cd1b490a2e0259b8e9447eac11a9466cf6df9;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index 1d6d082..38c79cc 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -972,9 +972,9 @@ c print *,nres c print '(20i4)',(itype(i),i=1,nres) do i=1,nres #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 @@ -1037,8 +1037,8 @@ C 8/13/98 Set limits to generating the dihedral angles #endif nct=nres cd print *,'NNT=',NNT,' NCT=',NCT - 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 if (pdbref) then if(me.eq.king.or..not.out1file) & write (iout,'(a,i3)') 'nsup=',nsup