removal of CSA from MD version of code

[unres.git] / source / unres / src_MD / MREMD.F

diff --git a/source/unres/src_MD/MREMD.F b/source/unres/src_MD/MREMD.F
index 2d184b6..9ddb9e9 100644 (file)
--- 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