X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2FMREMD.F;h=cac85aafacb3fea437a125cf7b9e1a165d195a26;hb=7d64cc3ff0edffb6aa37e309e4375f58bd5875a2;hp=d55a95b294015498eed60a0a09fd1fa73a6cd071;hpb=e183793a242a2e234c4a2d4783d3b2829a28d9e8;p=unres.git diff --git a/source/unres/src_MD-M-newcorr/MREMD.F b/source/unres/src_MD-M-newcorr/MREMD.F index d55a95b..cac85aa 100644 --- a/source/unres/src_MD-M-newcorr/MREMD.F +++ b/source/unres/src_MD-M-newcorr/MREMD.F @@ -1500,8 +1500,15 @@ c end debugging call xdrffloat_(ixdrf, real(t_restart1(4,il)), iret) call xdrfint_(ixdrf, nss, iret) do j=1,nss - call xdrfint_(ixdrf, ihpb(j), iret) - call xdrfint_(ixdrf, jhpb(j), iret) +C 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 enddo call xdrfint_(ixdrf, nfrag+npair+3*nfrag_back, iret) call xdrfint_(ixdrf, iset_restart1(il), iret) @@ -1538,8 +1545,13 @@ c end debugging call xdrffloat(ixdrf, real(t_restart1(4,il)), 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)+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, nfrag+npair+3*nfrag_back, iret) call xdrfint(ixdrf, iset_restart1(il), iret)