correction in MD returnbox

diff --git a/source/unres/src_MD-M/MD.F b/source/unres/src_MD-M/MD.F
index f65a527..0f12f9b 100644 (file)
--- a/source/unres/src_MD-M/MD.F
+++ b/source/unres/src_MD-M/MD.F
@@ -176,7 +176,10 @@ c Variable time step algorithm.
           call brown_step(itime)
         endif
         if (ntwe.ne.0) then
-         if (mod(itime,ntwe).eq.0) call statout(itime)
+         if (mod(itime,ntwe).eq.0) then
+           call statout(itime)
+           call returnbox
+          endif
 #ifdef VOUT
         do j=1,3
           v_work(j)=d_t(j,0)

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index 1144934..713d6e5 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -230,6 +230,7 @@ c Variable time step algorithm.
 #endif
         endif
         if (mod(itime,ntwx).eq.0) then
+          call returnbox
           write (tytul,'("time",f8.2)') totT
           if(mdpdb) then
              call hairpin(.true.,nharp,iharp)