zmiany w wydruku

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index ab7d468..be38729 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -2270,7 +2270,7 @@ c        if (i.gt. iatel_s+1 .and. i.lt.iatel_e+4) then
         else
           iti1=ntortyp+1
         endif
-        write(iout,*),i
+c        write(iout,*),i
         b1(1,i-2)=bnew1(1,1,iti)*sin(theta(i-1)/2.0)
      &           +bnew1(2,1,iti)*sin(theta(i-1))
      &           +bnew1(3,1,iti)*cos(theta(i-1)/2.0)
@@ -2314,8 +2314,8 @@ c        b2(2,iti)=bnew2(1,2,iti)*sin(alpha(i))*sin(beta(i))
        b1tilde(2,i-2)=-b1(2,i-2)
        b2tilde(1,i-2)=b2(1,i-2)
        b2tilde(2,i-2)=-b2(2,i-2)
-       write (iout,*) 'i=',i-2,gtb1(2,i-2),gtb1(1,i-2)
-       write (iout,*) 'theta=', theta(i-1)
+c       write (iout,*) 'i=',i-2,gtb1(2,i-2),gtb1(1,i-2)
+c       write (iout,*) 'theta=', theta(i-1)
        enddo
 #ifdef PARMAT
       do i=ivec_start+2,ivec_end+2
@@ -3193,10 +3193,10 @@ C
               muij(kkk)=mu(k,i)*mu(l,j)
 #ifdef NEWCORR
              gmuij1(kkk)=gtb1(k,i)*mu(l,j)
-             write(iout,*) 'kkk=', gtb1(k,i)*mu(l,j),gtb1(k,i),k,i
+c             write(iout,*) 'kkk=', gtb1(k,i)*mu(l,j),gtb1(k,i),k,i
              gmuij2(kkk)=gUb2(k,i-1)*mu(l,j)
              gmuji1(kkk)=mu(k,i)*gtb1(l,j)
-             write(iout,*) 'kkk=', gtb1(k,i)*mu(l,j),gtb1(l,j),l,j
+c             write(iout,*) 'kkk=', gtb1(k,i)*mu(l,j),gtb1(l,j),l,j
              gmuji2(kkk)=mu(k,i)*gUb2(l,j-1)
 #endif
             enddo
@@ -3370,31 +3370,31 @@ C Calculate patrial derivative for theta angle
      &     +a23*gmuij1(2)
      &     +a32*gmuij1(3)
      &     +a33*gmuij1(4)         
-         write(iout,*) "derivative over thatai"
-         write(iout,*) a22*gmuij1(1), a23*gmuij1(2) ,a32*gmuij1(3),
-     &   a33*gmuij1(4) 
+c         write(iout,*) "derivative over thatai"
+c         write(iout,*) a22*gmuij1(1), a23*gmuij1(2) ,a32*gmuij1(3),
+c     &   a33*gmuij1(4) 
          gloc(nphi+i,icg)=gloc(nphi+i,icg)+
      &      geel_loc_ij*wel_loc
-         write(iout,*) "derivative over thatai-1" 
-         write(iout,*) a22*gmuij2(1), a23*gmuij2(2) ,a32*gmuij2(3),
-     &   a33*gmuij2(4)
+c         write(iout,*) "derivative over thatai-1" 
+c         write(iout,*) a22*gmuij2(1), a23*gmuij2(2) ,a32*gmuij2(3),
+c     &   a33*gmuij2(4)
          geel_loc_ij=a22*gmuij2(1)+a23*gmuij2(2)+a32*gmuij2(3)
      &     +a33*gmuij2(4)
          gloc(nphi+i-1,icg)=gloc(nphi+i-1,icg)+
      &      geel_loc_ij*wel_loc
          geel_loc_ji=a22*gmuji1(1)+a23*gmuji1(2)+a32*gmuji1(3)
      &     +a33*gmuji1(4)
-         write(iout,*) "derivative over thataj" 
-         write(iout,*) a22*gmuji1(1), a23*gmuji1(2) ,a32*gmuji1(3),
-     &   a33*gmuji1(4)
+c         write(iout,*) "derivative over thataj" 
+c         write(iout,*) a22*gmuji1(1), a23*gmuji1(2) ,a32*gmuji1(3),
+c     &   a33*gmuji1(4)
 
          gloc(nphi+j,icg)=gloc(nphi+j,icg)+
      &      geel_loc_ji*wel_loc
          geel_loc_ji=a22*gmuji2(1)+a23*gmuji2(2)+a32*gmuji2(3)
      &     +a33*gmuji2(4)
-         write(iout,*) "derivative over thataj-1"
-         write(iout,*) a22*gmuji2(1), a23*gmuji2(2) ,a32*gmuji2(3),
-     &   a33*gmuji2(4)
+c         write(iout,*) "derivative over thataj-1"
+c         write(iout,*) a22*gmuji2(1), a23*gmuji2(2) ,a32*gmuji2(3),
+c     &   a33*gmuji2(4)
          gloc(nphi+j-1,icg)=gloc(nphi+j-1,icg)+
      &      geel_loc_ji*wel_loc
 #endif