X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadpdb.f;h=fa2d05dddb28356b55912610e250c8004d8951aa;hb=bc27be28c0f615715d987e1e9d1f0d9b261c4496;hp=93c9cbeac7eef93267f4c62071ab98a36cb4c39b;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/wham/src-M/readpdb.f b/source/wham/src-M/readpdb.f index 93c9cbe..fa2d05d 100644 --- a/source/wham/src-M/readpdb.f +++ b/source/wham/src-M/readpdb.f @@ -173,17 +173,19 @@ c write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) do j=1,3 cref(j,i,cou)=c(j,i) cref(j,i+nres,cou)=c(j,i+nres) - if (i.le.nres) then + if ((i.le.nres).and.(symetr.gt.1)) then chain_rep(j,lll,kkk)=c(j,i) chain_rep(j,lll+nres,kkk)=c(j,i+nres) endif enddo enddo + if (symetr.gt.1) then do j=1,3 chain_rep(j,chain_length,symetr)=chain_rep(j,chain_length,1) chain_rep(j,chain_length+nres,symetr) &=chain_rep(j,chain_length+nres,1) enddo + endif c diagnostic c diagnostic