Usuniecie diagnostyki w dzialajacym polu yi src_MD-M

diff --git a/source/unres/src_MD-M/cinfo.f b/source/unres/src_MD-M/cinfo.f
index 6ca43e2..6e11a50 100644 (file)
--- a/source/unres/src_MD-M/cinfo.f
+++ b/source/unres/src_MD-M/cinfo.f
@@ -1,10 +1,10 @@
 C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 2 3 3488
+C 2 3 3489
       subroutine cinfo
       include 'COMMON.IOUNITS'
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 2.3 build 3488'
-      write(iout,*)'compiled Fri Nov 23 09:23:06 2012'
+      write(iout,*)'Version 2.3 build 3489'
+      write(iout,*)'compiled Mon Nov 26 04:04:56 2012'
       write(iout,*)'compiled by aks255@matrix.chem.cornell.edu'
       write(iout,*)'OS name:    Linux '
       write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '

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 6df357a..70e22f4 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -4611,14 +4611,14 @@ C propagation of chirality for glycine type
             sinph1ph2(k,l)=scl-csl
           enddo
         enddo
-c        if (lprn) then
+        if (lprn) then
         write (iout,*) "i",i," ityp1",ityp1," ityp2",ityp2,
      &    " ityp3",ityp3," theti2",theti2," phii",phii," phii1",phii1
-c        write (iout,*) "coskt and sinkt"
-c        do k=1,nntheterm
-c          write (iout,*) k,coskt(k),sinkt(k)
-c        enddo
-c        endif
+        write (iout,*) "coskt and sinkt"
+        do k=1,nntheterm
+          write (iout,*) k,coskt(k),sinkt(k)
+        enddo
+        endif
         do k=1,ntheterm
           ethetai=ethetai+aathet(k,ityp1,ityp2,ityp3,iblock)*sinkt(k)
           dethetai=dethetai+0.5d0*k*aathet(k,ityp1,ityp2,ityp3,iblock)
@@ -4701,8 +4701,8 @@ c        endif
         enddo
 10      continue
 c        lprn1=.true.
-c        if (lprn1) 
-         write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') 
+        if (lprn1) 
+     &    write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') 
      &   i,theta(i)*rad2deg,phii*rad2deg,
      &   phii1*rad2deg,ethetai
 c        lprn1=.false.