X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Freadrtns.F;h=435cdb6ff41aed5c54d4782f84dc3718cdb23dea;hb=b1ac4ec5292a0d8ddcc3ad64e27a5ab3a4febe39;hp=037eb1fce5361e02bf9730bb4ec3394d6b57d7be;hpb=3d6f9e7811a3341955e6fdda721ab6de34efe252;p=unres.git diff --git a/source/cluster/wham/src/readrtns.F b/source/cluster/wham/src/readrtns.F index 037eb1f..435cdb6 100644 --- a/source/cluster/wham/src/readrtns.F +++ b/source/cluster/wham/src/readrtns.F @@ -275,7 +275,7 @@ 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 @@ -283,7 +283,7 @@ 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