X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=ae11faf3513c80d7b16fc7fa92d14d4dfc89172b;hb=3e42b5f53e0ec03cd03009f3b857931ce7ee25c2;hp=deef97cce7e8826679a80788b821ab965b989ab3;hpb=3c5e1a8829ff84c0725642015445f4debd4ecc0a;p=unres.git

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index deef97c..ae11faf 100644
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1633,7 +1633,7 @@ c Removing the velocity of the center of mass
             enddo
           enddo
          endif
-         call chainbuild
+c         call chainbuild_cart
          write (iout,*) "PREMINIM ",preminim
          if(iranconf.ne.0 .or. preminim) then
           if (overlapsc) then 
@@ -1700,11 +1700,11 @@ c Removing the velocity of the center of mass
      &   "Time step reduced to",d_time,
      &   " because of too large initial acceleration."
       endif
-C      if(me.eq.king.or..not.out1file)then 
-C       write(iout,*) "Potential energy and its components"
-C       call enerprint(potEcomp)
+      if(me.eq.king.or..not.out1file)then 
+       write(iout,*) "Potential energy and its components"
+       call enerprint(potEcomp)
 c       write(iout,*) (potEcomp(i),i=0,n_ene)
-C      endif
+      endif
       potE=potEcomp(0)-potEcomp(20)
       totE=EK+potE
       itime=0