X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=fd00153702626f3a1d23a215956d1a3e3868ea74;hb=40861d754229b6858ca997cebffbc084b5840e51;hp=29253b3ae879389bc62c540ce3e12d91d92aa940;hpb=ecd068230c8710426bfa1706ad0814767aecab7f;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index 29253b3..fd00153 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -956,7 +956,7 @@ 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 @@ -964,7 +964,7 @@ 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