X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMREMD.F;h=9ddb9e9aa679f2c1c05e20a68cd438087d0aacf1;hb=fd4742868e8709a6eaf0bfa779f9182f414ea2a9;hp=2d184b62e862c634cb66edf43e7d1f9d1a71af8a;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git

diff --git a/source/unres/src_MD/MREMD.F b/source/unres/src_MD/MREMD.F
index 2d184b6..9ddb9e9 100644
--- a/source/unres/src_MD/MREMD.F
+++ b/source/unres/src_MD/MREMD.F
@@ -479,6 +479,10 @@ c Variable time step algorithm.
           stop
 #endif
         endif
+        if(hmc.gt.0 .and. mod(itime,hmc).eq.0) then
+          call statout(itime)
+          call hmc_test(itime)
+        endif
         if(ntwe.ne.0) then
           if (mod(itime,ntwe).eq.0) call statout(itime)
         endif
@@ -1403,6 +1407,8 @@ cd end
      & 'MD steps:',t_MD
        write (iout,'(/28(1h=),a25,27(1h=))') 
      & '  End of MD calculation  '
+       if(hmc.gt.0) write (iout,*) 'HMC acceptance ratio',
+     &         n_timestep*1.0d0/hmc/hmc_acc
       endif
       return
       end