X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=bc964f3384233bf05d380795fdb535d078bbc1ec;hb=312c933139ebc2c391d0616b3df48d053e29fdf6;hp=ad038e2418cc1a74a12cdb7a151c5b8035b73381;hpb=60a3f9d89e537f69c6c19a8240c6c8dc6b2a1db0;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index ad038e2..bc964f3 100644 --- a/source/wham/src/readrtns.F +++ b/source/wham/src/readrtns.F @@ -147,6 +147,11 @@ C endif replica(iparm)=index(controlcard,"REPLICA").gt.0 umbrella(iparm)=index(controlcard,"UMBRELLA").gt.0 + if (umbrella(iparm) .and. homol_nset.gt.1) then + umbrella(iparm) = .false. + write (iout,*) + & "Replica in homology restraints weights UMBRELLA ignored,",iparm + endif read_iset(iparm)=index(controlcard,"READ_ISET").gt.0 write (iout,*) "nQ",nQ," nT",nT_h(iparm)," replica ", & replica(iparm)," umbrella ",umbrella(iparm), @@ -189,6 +194,15 @@ C call flush(iout) enddo + write (iout,*) "HOMOL_NSET",homol_nset + if (homol_nset.gt.1) then + write (iout,*) "HOMOL_NSET: nT_h",nT_h(iparm) + do ib=1,nT_h(iparm) + nR(ib,iparm)=homol_nset + write (iout,*) "iparm",iparm," ib",ib," nR",nR(ib,iparm) + enddo + endif + enddo if (hamil_rep) then