changes in parameter file and debug off

diff --git a/PARAM/scinter_GB_ext_lip.parm b/PARAM/scinter_GB_ext_lip.parm
index f9beea6..c508b3e 100644 (file)
--- a/PARAM/scinter_GB_ext_lip.parm
+++ b/PARAM/scinter_GB_ext_lip.parm
@@ -134,8 +134,6 @@
          .0572167103        -.0468608825         .0151048455         .0084963678
          .0278930397         .0076922911         .1033536738        -.0098256036
          .0611385674         .0448303346         .0861379100         .0861379100
-C From here are lipid
-
    2.252000       2.758289       2.828747       2.573807    
    2.573807       2.314337       3.329045       3.123838    
    1.679138       1.245463       2.417517       2.138542    

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index dc58df8..2635a2f 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1671,11 +1671,11 @@ c Removing the velocity of the center of mass
      &   "Time step reduced to",d_time,
      &   " because of too large initial acceleration."
       endif
-      if(me.eq.king.or..not.out1file)then 
-       write(iout,*) "Potential energy and its components"
-       call enerprint(potEcomp)
+C      if(me.eq.king.or..not.out1file)then 
+C       write(iout,*) "Potential energy and its components"
+C       call enerprint(potEcomp)
 c       write(iout,*) (potEcomp(i),i=0,n_ene)
-      endif
+C      endif
       potE=potEcomp(0)-potEcomp(20)
       totE=EK+potE
       itime=0

diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F
index 093ca8a..183a917 100644 (file)
--- a/source/unres/src_MD-M/parmread.F
+++ b/source/unres/src_MD-M/parmread.F
@@ -1122,6 +1122,7 @@ C       do j=1,ntyp
 C       epslip(i,j)=epslip(i,j)+0.05d0
 C       enddo
       enddo
+      write(iout,*) epslip(1,1),"OK?"
 C For the GB potential convert sigma'**2 into chi'
       if (ipot.eq.4) then
        do i=1,ntyp