Intoduction Lorentizan like restrains to cluster

[unres.git] / source / wham / src-M / energy_p_new.F

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index 8cf29b2..26e2a9b 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -4485,8 +4485,9 @@ c       write (iout,*) 'i=',i,' gloc=',gloc(i-3,icg)
           edihcnstr=edihcnstr+0.25d0*ftors*difi**4
           gloc(itori-3,icg)=gloc(itori-3,icg)+ftors*difi**3
         endif
-!        write (iout,'(2i5,2f8.3,2e14.5)') i,itori,rad2deg*phii,
-!     &    rad2deg*difi,0.25d0*ftors*difi**4,gloc(itori-3,icg)
+        write (iout,'(a6,2i5,2f8.3,2e14.5)') "edih",
+     &    i,itori,rad2deg*phii,
+     &    rad2deg*difi,0.25d0*ftors*difi**4,gloc(itori-3,icg)
       enddo
 !      write (iout,*) 'edihcnstr',edihcnstr
       return
@@ -4584,6 +4585,9 @@ c       write (iout,*) 'i=',i,' gloc=',gloc(i-3,icg)
         else
           difi=0.0d0
         endif
+        write (iout,'(a6,2i5,2f8.3,2e14.5)') "edih",
+     &    i,itori,rad2deg*phii,
+     &    rad2deg*difi,0.25d0*ftors*difi**4
 c        write (iout,'(2i5,4f10.5,e15.5)') i,itori,phii,phi0(i),difi,
 c     &    drange(i),edihi
 !        write (iout,'(2i5,2f8.3,2e14.5)') i,itori,rad2deg*phii,