X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=622d68a852ea649e564ece5c5447e1b6f9fce70c;hb=bee3b66ba871f85ef86d5328a081dcf2e974f6f5;hp=e95d4d929eace65163d91dc309f42eb74fa76e15;hpb=7ade17e2b1442c70584c0e09292abad854354dfa;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index e95d4d9..622d68a 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -997,6 +997,20 @@ C Convert sequence to numeric code do i=1,nres itype(i)=rescode(i,sequence(i),iscode) enddo + if (itype(2).eq.10) 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).eq.10) then + write (iout,*) + & "Glycine is the last full residue, terminal dummy deleted" + nres=nres-1 + endif + C Assign initial virtual bond lengths do i=2,nres vbld(i)=vbl