X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fio_database.F90;h=c28ad787e5c7a0f48d41fc4298078a83fa47141e;hb=f458de69c692cc132fdb9adfa1a130fc33b35782;hp=5b8cad4d42281bdc661b25ac710375b0f9dd663b;hpb=19eb6797997afd83690e2dc4314882fe511fd44f;p=unres4.git diff --git a/source/wham/io_database.F90 b/source/wham/io_database.F90 index 5b8cad4..c28ad78 100644 --- a/source/wham/io_database.F90 +++ b/source/wham/io_database.F90 @@ -1284,24 +1284,34 @@ write(iout,*) "end of read database" ! write (iout,*) "xdrf3dfcoord" ! call flush(iout) call xdrfint_(ixdrf, nss, iret) + write (iout,*) "iret",iret + write (iout,*) "nss",nss,i,"TUTU" do j=1,nss call xdrfint_(ixdrf, ihpb(j), iret) call xdrfint_(ixdrf, jhpb(j), iret) + write(iout,*), ihpb(j),jhpb(j),"TUTU" enddo call xdrffloat_(ixdrf,real(eini),iret) call xdrffloat_(ixdrf,real(efree),iret) + write(iout,*) "TUTU", eini + write(iout,*) "TUTU", efree call xdrffloat_(ixdrf,real(rmsdev),iret) call xdrfint_(ixdrf,iscor,iret) #else call xdrf3dfcoord(ixdrf, xoord, itmp, prec, iret) + write (iout,*) "iret",iret + write (iout,*) "nss",nss,i,"TUTU" call xdrfint(ixdrf, nss, iret) do j=1,nss call xdrfint(ixdrf, ihpb(j), iret) call xdrfint(ixdrf, jhpb(j), iret) + write(iout,*), ihpb(j),jhpb(j),"TUTU" enddo call xdrffloat(ixdrf,real(eini),iret) call xdrffloat(ixdrf,real(efree),iret) + write(iout,*) "TUTU", eini + write(iout,*) "TUTU", efree call xdrffloat(ixdrf,real(rmsdev),iret) call xdrfint(ixdrf,iscor,iret) #endif