X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fchain_symmetry.F;h=8c368555d6cd6e3f59b978b7c2ed55341efd008b;hb=ae315105cef83bbcab70e2778ef92459690ee784;hp=1406d1d20f84e514ac65e88550481c5d1822277d;hpb=48ae9e01d2dd6571fa2cca6c704dc04f86e5fd7b;p=unres.git diff --git a/source/unres/src-HCD-5D/chain_symmetry.F b/source/unres/src-HCD-5D/chain_symmetry.F index 1406d1d..8c36855 100644 --- a/source/unres/src-HCD-5D/chain_symmetry.F +++ b/source/unres/src-HCD-5D/chain_symmetry.F @@ -7,6 +7,7 @@ c implicit none include "DIMENSIONS" include "COMMON.IOUNITS" + include "COMMON.CONTROL" integer nchain,nres,itype(nres),chain_border(2,maxchain), & chain_length(nchain),itemp(maxchain), & npermchain,tabpermchain(maxchain,maxperm), @@ -42,6 +43,7 @@ c nchain_group=nchain_group+1 iieq=1 iequiv(iieq,nchain_group)=i + if (symetr.eq.1) then do j=i+1,nchain if (iflag(j).gt.0.or.chain_length(i).ne.chain_length(j)) cycle c k=0 @@ -57,6 +59,7 @@ c k=k+1 iieq=iieq+1 iequiv(iieq,nchain_group)=j enddo + endif nequiv(nchain_group)=iieq enddo write(iout,*) "Number of equivalent chain groups:",nchain_group