X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fcxread.F;h=0e6c52e7fa67c6b01454b5b0de9699f95bb3cc82;hb=c2b5c2a1de9cca14f60446937085424047097953;hp=65372e329191669458c67a09cd1b5f417312dddc;hpb=79854d858b2df03320c654ee73f0ee891efca800;p=unres.git diff --git a/source/wham/src/cxread.F b/source/wham/src/cxread.F index 65372e3..0e6c52e 100644 --- a/source/wham/src/cxread.F +++ b/source/wham/src/cxread.F @@ -70,8 +70,13 @@ c print *,"bumbum" write (iout,*) "ruconst",ruconst," rt_bath",rt_bath," nss",nss #endif do j=1,nss + if (dyn_ss) then + call xdrfint_(ixdrf, idssb(j)+nres, iret) + call xdrfint_(ixdrf, jdssb(j)+nres, iret) + else call xdrfint_(ixdrf, ihpb(j), iret) call xdrfint_(ixdrf, jhpb(j), iret) + endif enddo call xdrfint_(ixdrf, nprop, iret) if (umbrella(iparm) .or. read_iset(iparm) .or. hamil_rep) @@ -96,8 +101,13 @@ c print *,"bumbum" write (iout,*) "ruconst",ruconst," rt_bath",rt_bath," nss",nss #endif do j=1,nss + if (dyn_ss) then + call xdrfint(ixdrf, idssb(j)+nres, iret) + call xdrfint(ixdrf, jdssb(j)+nres, iret) + else call xdrfint(ixdrf, ihpb(j), iret) call xdrfint(ixdrf, jhpb(j), iret) + endif enddo call xdrfint(ixdrf, nprop, iret) c write (iout,*) "nprop",nprop