update

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

diff --git a/source/unres/src_MD/MD_A-MTS.F b/source/unres/src_MD/MD_A-MTS.F
index 95f174d..ffafe1d 100644 (file)
--- a/source/unres/src_MD/MD_A-MTS.F
+++ b/source/unres/src_MD/MD_A-MTS.F
@@ -2076,8 +2076,8 @@ c      write (iout,*) "RANDOM_VEL dimen",dimen
           lowb=-5*sigv
           highb=5*sigv
           d_t_work_new(ii)=anorm_distr(xv,sigv,lowb,highb)
-c          write (iout,*) "i",i," ii",ii," geigen",geigen(i),
-c     &      " d_t_work_new",d_t_work_new(ii)
+          write (iout,*) "i",i," ii",ii," geigen",geigen(i),
+     &      " d_t_work_new",d_t_work_new(ii)
         enddo
       enddo
       call flush(iout)
@@ -2101,8 +2101,8 @@ c Transform velocities to UNRES coordinate space
             d_t_work(ind)=d_t_work(ind)
      &                      +Gvec(i,j)*d_t_work_new((j-1)*3+k+1)
           enddo
-c          write (iout,*) "i",i," ind",ind," d_t_work",d_t_work(ind)
-c          call flush(iout)
+          write (iout,*) "i",i," ind",ind," d_t_work",d_t_work(ind)
+          call flush(iout)
         enddo
       enddo
 c Transfer to the d_t vector
@@ -2128,10 +2128,10 @@ c      call flush(iout)
           enddo
         endif
       enddo
-c      call kinetic(EK)
-c      write (iout,*) "Kinetic energy",Ek,EK1," kinetic temperature",
-c     &  2.0d0/(dimen3*Rb)*EK,2.0d0/(dimen3*Rb)*EK1
-c      call flush(iout)
+      call kinetic(EK)
+      write (iout,*) "Kinetic energy",Ek,EK1," kinetic temperature",
+     &  2.0d0/(dimen3*Rb)*EK,2.0d0/(dimen3*Rb)*EK1
+      call flush(iout)
       return
       end
 #ifndef LANG0