hidden part of debug

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index beae087..83adc13 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -819,8 +819,8 @@ C
             IF (dyn_ss_mask(i).and.dyn_ss_mask(j)) THEN
               call dyn_ssbond_ene(i,j,evdwij)
               evdw=evdw+evdwij
-            write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
-     &                        'evdw',i,j,evdwij,' ss',evdw,evdw_t
+C            write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
+C     &                        'evdw',i,j,evdwij,' ss',evdw,evdw_t
 C triple bond artifac removal
              do k=j+1,iend(i,iint)
 C search over all next residues
@@ -831,8 +831,8 @@ C              write(iout,*) 'k=',k
 C call the energy function that removes the artifical triple disulfide
 C bond the soubroutine is located in ssMD.F
               evdw=evdw+evdwij
-             write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
-     &                        'evdw',i,j,evdwij,'tss',evdw,evdw_t
+C             write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
+C     &                        'evdw',i,j,evdwij,'tss',evdw,evdw_t
               endif!dyn_ss_mask(k)
              enddo! k
             ELSE
@@ -929,7 +929,7 @@ C Calculate the radial part of the gradient
 C Calculate angular part of the gradient.
             call sc_grad
             endif
-            write(iout,*)  "partial sum", evdw, evdw_t
+C            write(iout,*)  "partial sum", evdw, evdw_t
             ENDIF    ! dyn_ss            
           enddo      ! j
         enddo        ! iint
@@ -4659,7 +4659,7 @@ c   3 = SC...Ca...Ca...SCi
            esccor=esccor+v1ij*cosphi+v2ij*sinphi
            gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi)
          enddo
-      write (iout,*)"EBACK_SC_COR",esccor,i
+C      write (iout,*)"EBACK_SC_COR",esccor,i
 c      write (iout,*) "EBACK_SC_COR",i,v1ij*cosphi+v2ij*sinphi,intertyp,
 c     & nterm_sccor(isccori,isccori1),isccori,isccori1
 c        gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci

diff --git a/source/wham/src-M/parmread.F b/source/wham/src-M/parmread.F
index d4fa521..819e46c 100644 (file)
--- a/source/wham/src-M/parmread.F
+++ b/source/wham/src-M/parmread.F
@@ -394,7 +394,7 @@ C
         enddo
       enddo
       enddo
-      write (iout,*) "KURWA1"
+C      write (iout,*) "KURWA1"
       do iblock=1,2
       do i=0,nthetyp
         do j=-nthetyp,nthetyp
@@ -418,7 +418,7 @@ C
           enddo
         enddo
       enddo
-       write(iout,*) "KURWA1.1"
+C       write(iout,*) "KURWA1.1"
 C
 C For dummy ends assign glycine-type coefficients of theta-only terms; the
 C coefficients of theta-and-gamma-dependent terms are zero.
@@ -438,7 +438,7 @@ C
         aa0thet(nthetyp+1,i,nthetyp+1,iblock)=0.0d0
       enddo
       enddo
-       write(iout,*) "KURWA1.5"
+C       write(iout,*) "KURWA1.5"
 C Substitution for D aminoacids from symmetry.
       do iblock=1,2
       do i=-nthetyp,0
@@ -517,7 +517,7 @@ C
       call flush(iout)
       endif
 #endif
-      write(iout,*) 'KURWA2'
+C      write(iout,*) 'KURWA2'
 #ifdef CRYST_SC
 C
 C Read the parameters of the probability distribution/energy expression
@@ -625,7 +625,7 @@ C
       enddo
 #endif
       close(irotam)
-      write (iout,*) 'KURWAKURWA'
+C      write (iout,*) 'KURWAKURWA'
 #ifdef CRYST_TOR
 C
 C Read torsional parameters in old format
@@ -1279,7 +1279,7 @@ C      V3SS = 13.7d0
       write (iout,*) dyn_ss,'dyndyn'
       if (dyn_ss) then
         ss_depth=ebr/wsc-0.25*eps(1,1)
-        write(iout,*) akcm,whpb,wsc,'KURWA'
+C        write(iout,*) akcm,whpb,wsc,'KURWA'
         Ht=Ht/wsc-0.25*eps(1,1)
 
         akcm=akcm*whpb/wsc