bugfix in shield FGPROC>1

[unres.git] / source / unres / src_MD-M / MD_A-MTS.F

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index dc58df8..3a45231 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1653,6 +1653,7 @@ c Removing the velocity of the center of mass
 #endif
       call zerograd
       call etotal(potEcomp)
+      call enerprint(potEcomp)
       if (large) call enerprint(potEcomp)
 #ifdef TIMING_ENE
 #ifdef MPI
@@ -1671,11 +1672,11 @@ c Removing the velocity of the center of mass
      &   "Time step reduced to",d_time,
      &   " because of too large initial acceleration."
       endif
-      if(me.eq.king.or..not.out1file)then 
-       write(iout,*) "Potential energy and its components"
-       call enerprint(potEcomp)
+C      if(me.eq.king.or..not.out1file)then 
+C       write(iout,*) "Potential energy and its components"
+C       call enerprint(potEcomp)
 c       write(iout,*) (potEcomp(i),i=0,n_ene)
-      endif
+C      endif
       potE=potEcomp(0)-potEcomp(20)
       totE=EK+potE
       itime=0