From a04f03a4e6c118c9ca6ca9f6c15d0823e0d6c703 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Tue, 22 Jul 2014 10:23:13 +0200 Subject: [PATCH] correction in MD returnbox --- source/unres/src_MD-M/MD.F | 5 ++++- source/unres/src_MD-M/MD_A-MTS.F | 1 + 2 files changed, 5 insertions(+), 1 deletion(-) 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) -- 1.7.9.5