X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=29253b3ae879389bc62c540ce3e12d91d92aa940;hb=b14bec9c0dc89d4a0f13baaaff62f982d785485e;hp=b861fdb35f4c3c32af71ecb9cf79ede974399055;hpb=a2e22fbd33a3eb0e977b8bc86a5eccfbbfdd9690;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index b861fdb..29253b3 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -956,6 +956,20 @@ 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