X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=666754f51ee79d76efd16baa19b0763cebf874cb;hb=b1ac4ec5292a0d8ddcc3ad64e27a5ab3a4febe39;hp=4c154952ed425fbf19152e1c0fbe12a3ac6d12ec;hpb=158106af7a0b10b7dbe23dbb4061315b3ea37dbc;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 4c15495..666754f 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -206,6 +206,19 @@ C Convert sequence to numeric code do i=1,nres itype(i)=rescode(i,sequence(i),iscode) enddo + 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 + itype(i)=itype(i+1) + enddo + nres=nres-1 + endif + 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 + endif print *,nres print '(20i4)',(itype(i),i=1,nres)