X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Freadrtns.F;h=4ccad2c4eced9e08b065c606685362f954f01bab;hb=d8f12ad92a86f21e75e7e8d2e424bc5a538f9e97;hp=e86d7e8938db1e86da611490223024c681c89c61;hpb=8edf1bfce4d6b0586a4bde13101f96f48377a5ce;p=unres.git diff --git a/source/cluster/wham/src/readrtns.F b/source/cluster/wham/src/readrtns.F index e86d7e8..4ccad2c 100644 --- a/source/cluster/wham/src/readrtns.F +++ b/source/cluster/wham/src/readrtns.F @@ -208,9 +208,9 @@ C Convert sequence to numeric code 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 @@ -252,8 +252,8 @@ C Convert sequence to numeric code nnt=1 nct=nres 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 (nstart.lt.nnt) nstart=nnt if (nend.gt.nct .or. nend.eq.0) nend=nct write (iout,*) "nstart",nstart," nend",nend