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=34d3ad3987785642be58fb2f26557d3314215577;hp=1df3f0a9810911dae70dc9f6d5d61a0b78cf14f2;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git

diff --git a/source/unres/src_MD-M-newcorr/MREMD.F b/source/unres/src_MD-M-newcorr/MREMD.F
index 1df3f0a..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)
@@ -1782,14 +1794,9 @@ c     &                (d_restart1(j,i+2*nres*il),j=1,3)
               enddo
              endif
 #endif
-c Corrected AL 8/19/2014: each processor needs whole iset array not only its
-c own element
-c              call mpi_scatter(i2set,1,mpi_integer,
-c     &           iset,1,mpi_integer,king,
-c     &           CG_COMM,ierr)
-              call mpi_bcast(i2set(0),nodes,mpi_integer,king,
-     &         CG_COMM,ierr)
-              iset=i2set(me)
+              call mpi_scatter(i2set,1,mpi_integer,
+     &           iset,1,mpi_integer,king,
+     &           CG_COMM,ierr) 
 
            endif