X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fcxread.F;fp=source%2Fwham%2Fsrc-M%2Fcxread.F;h=c4cc7bb0836af7fec7b790b59edc9b12e2b58505;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=7bb2f6a84757a38e6334904b50c159db6fcc40b1;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/wham/src-M/cxread.F b/source/wham/src-M/cxread.F index 7bb2f6a..c4cc7bb 100644 --- a/source/wham/src-M/cxread.F +++ b/source/wham/src-M/cxread.F @@ -63,8 +63,15 @@ c write (iout,*) "rpotE",rpotE," iret",iret call xdrffloat_(ixdrf, rt_bath, iret) call xdrfint_(ixdrf, nss, iret) do j=1,nss - call xdrfint_(ixdrf, ihpb(j), iret) - call xdrfint_(ixdrf, jhpb(j), iret) + if (dyn_ss) then + call xdrfint(ixdrf, idssb(j), iret) + call xdrfint(ixdrf, jdssb(j), iret) + idssb(j)=idssb(j)-nres + jdssb(j)=jdssb(j)-nres + 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) @@ -81,8 +88,13 @@ c write (iout,*) "rpotE",rpotE," iret",iret call xdrffloat(ixdrf, rt_bath, iret) call xdrfint(ixdrf, nss, iret) do j=1,nss - call xdrfint(ixdrf, ihpb(j), iret) - call xdrfint(ixdrf, jhpb(j), iret) + if (dyn_ss) then + call xdrfint(ixdrf, idssb(j), iret) + call xdrfint(ixdrf, jdssb(j), 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