changes in wham and unres

[unres4.git] / source / unres / MREMD.f90

diff --git a/source/unres/MREMD.f90 b/source/unres/MREMD.f90
index 0ae3d27..522bc00 100644 (file)
--- a/source/unres/MREMD.f90
+++ b/source/unres/MREMD.f90
@@ -560,7 +560,7 @@
            if (max_cache_traj_use.ne.1) &
             print *,itime,"processor ",me," over cache ",ntwx_cache
            do i=1,ntwx_cache-1
-
+            call returnbox
             totT_cache(i)=totT_cache(i+1)
             EK_cache(i)=EK_cache(i+1)
             potE_cache(i)=potE_cache(i+1)
@@ -607,7 +607,7 @@
               ugamma_cache(i,ntwx_cache)=ugamma(i)
               uscdiff_cache(i,ntwx_cache)=uscdiff(i)
             enddo
-
+!            call returnbox
             do i=1,nres*2
              do j=1,3
               c_cache(j,i,ntwx_cache)=c(j,i)