X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2Freadpdb.f;h=a65709e964639f484c57a459ad9f1ab365e50384;hb=afb3d0e4cd5a4a69ed99428f72e2858bfe627aeb;hp=bf2f2048700ed69c31752bc9e7e2d0a3ced5b1f6;hpb=d4479dd2119d03a168ef9526875205081c53e5a9;p=unres.git diff --git a/source/wham/src-M/readpdb.f b/source/wham/src-M/readpdb.f index bf2f204..a65709e 100644 --- a/source/wham/src-M/readpdb.f +++ b/source/wham/src-M/readpdb.f @@ -163,7 +163,7 @@ C Splits to single chain if occurs lll=lll+1 cc write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) if (i.gt.1) then - if (itype(i-1).eq.ntyp1) then + if ((itype(i-1).eq.ntyp1).and.(i.gt.2).and.(i.ne.nres)) then chain_length=lll-1 kkk=kkk+1 c write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) @@ -179,6 +179,8 @@ c write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) endif enddo enddo + if (chain_length.eq.0) chain_length=nres + write (iout,*) chain_length do j=1,3 chain_rep(j,chain_length,symetr)=chain_rep(j,chain_length,1) chain_rep(j,chain_length+nres,symetr)