From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Tue, 22 Jul 2014 08:23:13 +0000 (+0200)
Subject: correction in MD returnbox
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=a04f03a4e6c118c9ca6ca9f6c15d0823e0d6c703

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
--- 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
--- 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)