X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=7a9e307844707fcc494f3d081d9b06dc8608c5dc;hb=492f3c20a31cc1bda0d2079f9a4da6a459284622;hp=2635a2f9fc586846b39e11946fa2a0af81f69fbb;hpb=c7a96454a5265471d175bbe066071ac41c8b55c3;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 2635a2f..7a9e307 100644
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1610,7 +1610,8 @@ c Removing the velocity of the center of mass
       endif
       if (.not.rest) then	  	
          call chainbuild
-         if(iranconf.ne.0) then
+         write (iout,*) "PREMINIM ",preminim
+         if(iranconf.ne.0 .or. preminim) then
           if (overlapsc) then 
            print *, 'Calling OVERLAP_SC'
            call overlap_sc(fail)
@@ -1632,8 +1633,12 @@ c Removing the velocity of the center of mass
            call minimize(etot,varia,iretcode,nfun)
            call var_to_geom(nvar,varia)
           endif
-          if(me.eq.king.or..not.out1file)
-     &       write(iout,*) 'SUMSL return code is',iretcode,' eval ',nfun
+          if(me.eq.king.or..not.out1file) then
+             write(iout,*) "Minimized energy is",etot
+             write(iout,*) 'SUMSL return code is',iretcode,' eval ',nfun
+             call etotal(potEcomp)
+             call enerprint(potEcomp)
+          endif
          endif
       endif 	  
       call chainbuild_cart