REMD with HOMOL_NSET>1 and single weight for all homology restraints

[unres.git] / source / unres / src_MD / MREMD.F

diff --git a/source/unres/src_MD/MREMD.F b/source/unres/src_MD/MREMD.F
index 1a97f1b..ed655a8 100644 (file)
--- a/source/unres/src_MD/MREMD.F
+++ b/source/unres/src_MD/MREMD.F
@@ -59,7 +59,7 @@ cdeb      imin_itime_old=0
       endif
       mremd_rst_name=prefix(:ilen(prefix))//"_mremd.rst"
 
-cd      print *,'MREMD',nodes
+cd      print *,'MREMD',nodes,homol_nset
 cd      print *,'mmm',me,remd_mlist,(remd_m(i),i=1,nrep)
 cde      write (iout,*) "Start MREMD: me",me," t_bath",t_bath
 
@@ -1468,6 +1468,7 @@ c-----------------------------------------------------------------------
       include 'COMMON.CHAIN'
       include 'COMMON.SBRIDGE'
       include 'COMMON.INTERACT'
+      include 'COMMON.CONTROL'
                
       real d_restart1(3,2*maxres*maxprocs),r_d(3,2*maxres),
      &     d_restart2(3,2*maxres*maxprocs)
@@ -1868,6 +1869,7 @@ ctime        call flush(iout)
       include 'COMMON.CHAIN'
       include 'COMMON.SBRIDGE'
       include 'COMMON.INTERACT'
+      include 'COMMON.CONTROL'
       real d_restart1(3,2*maxres*maxprocs),r_d(3,2*maxres),
      &                 t5_restart1(5)
       integer*2 i_index
@@ -2031,7 +2033,11 @@ c     &                (d_restart1(j,i+2*nres*il),j=1,3)
               enddo
              endif
 #endif
+c<<<<<<< HEAD
 c Corrected AL 8/19/2014: each processor needs whole iset array not only its
+cv=======
+Corrected AL 8/19/2014: each processor needs whole iset array not only its
+c>>>>>>> 66693b0684c228404e7aadcffe6d2a8c9f489063
 c own element
 c              call mpi_scatter(i2set,1,mpi_integer,
 c     &           iset,1,mpi_integer,king,