X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadpdb.f;h=fa2d05dddb28356b55912610e250c8004d8951aa;hb=2908be16f142d961f5735c3618189257ffca050e;hp=93c9cbeac7eef93267f4c62071ab98a36cb4c39b;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;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