X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmolread_zs.F;h=cdc6f454c6db3f13bf9d0a512b0a84ee91c26d72;hb=40861d754229b6858ca997cebffbc084b5840e51;hp=534e6df43fbb4b2b7698f692d2f9cc3374361ff9;hpb=ecd068230c8710426bfa1706ad0814767aecab7f;p=unres.git diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F index 534e6df..cdc6f45 100644 --- a/source/wham/src/molread_zs.F +++ b/source/wham/src/molread_zs.F @@ -48,7 +48,7 @@ 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 @@ -56,7 +56,7 @@ 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