X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=4b14b6629a84fda5eab731edd98bf3431a2ab400;hb=40861d754229b6858ca997cebffbc084b5840e51;hp=e33b6d6ec40b135c1909860cf99f605417de21fc;hpb=ecd068230c8710426bfa1706ad0814767aecab7f;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index e33b6d6..4b14b66 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -208,7 +208,7 @@ C Convert sequence to numeric code do i=1,nres itype(i)=rescode(i,sequence(i),iscode) enddo - if (itype(2).eq.10) then + if (itype(2).eq.10.and.itype(1).eq.ntyp1) then write (iout,*) & "Glycine is the first full residue, initial dummy deleted" do i=1,nres @@ -216,7 +216,7 @@ C Convert sequence to numeric code enddo nres=nres-1 endif - if (itype(nres).eq.10) then + if (itype(nres-1).eq.10.and.itype(nres).eq.ntyp1) then write (iout,*) & "Glycine is the last full residue, terminal dummy deleted" nres=nres-1