X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=1b4c91180d5f44fc83604cff958d30e65bc69680;hb=3dbe5ceeea4b858bc25fa1469237e697c0bf293f;hp=0140df4ace8211633f9688e24b446b728f42f364;hpb=f53d2f56ffdf788a1429ecd19bfb5f3de055204d;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 0140df4..1b4c911 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -207,9 +207,9 @@ 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 @@ -232,8 +232,8 @@ 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