update

[unres.git] / source / unres / src_MD-M-SAXS-homology / minimize_p.F

diff --git a/source/unres/src_MD-M-SAXS-homology/minimize_p.F b/source/unres/src_MD-M-SAXS-homology/minimize_p.F
index 3de233f..f9faf7c 100644 (file)
--- a/source/unres/src_MD-M-SAXS-homology/minimize_p.F
+++ b/source/unres/src_MD-M-SAXS-homology/minimize_p.F
@@ -24,7 +24,7 @@
       external func,gradient,fdum
       external func_restr,grad_restr
       logical not_done,change,reduce 
-      common /przechowalnia/ v
+c      common /przechowalnia/ v
 
       icall = 1
 
@@ -70,7 +70,7 @@ c     v(25)=4.0D0
       if (rtolf.eq.0.0D0) rtolf=1.0D-4
       v(32)=rtolf
 * controls initial step size                                            
-       v(35)=1.0D-1                                                    
+      v(35)=1.0D-1                                                    
 * large vals of d correspond to small components of step                
       do i=1,nphi
         d(i)=1.0D-1
@@ -256,7 +256,8 @@ c           call MATOUT2(my_ng_count,dimen3,maxres2,maxers2,ginv_block)
       real*8 urparm(1)                                                    
       dimension x(maxvar)
 c     if (jjj.gt.0) then
-c       write (iout,'(10f8.3)') (rad2deg*x(i),i=1,n)
+c      write (iout,*) "in func x"
+c      write (iout,'(10f8.3)') (rad2deg*x(i),i=1,n)
 c     endif
       nfl=nf
       icg=mod(nf,2)+1
@@ -269,8 +270,9 @@ cd    write (iout,*) 'ETOTAL called from FUNC'
       call sum_gradient
       f=energia(0)
 c     if (jjj.gt.0) then
-c       write (iout,'(10f8.3)') (rad2deg*x(i),i=1,n)
-c       write (iout,*) 'f=',etot
+c      write (iout,*) "upon exit from func"
+c      write (iout,'(10f8.3)') (rad2deg*x(i),i=1,n)
+c      write (iout,*) 'f=',f
 c       jjj=0
 c     endif
       return