correction of dihedral homology restraints phi(i+3)

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

diff --git a/source/cluster/wham/src-M/energy_p_new.F b/source/cluster/wham/src-M/energy_p_new.F
index 34807fe..4e4a386 100644 (file)
--- a/source/cluster/wham/src-M/energy_p_new.F
+++ b/source/cluster/wham/src-M/energy_p_new.F
@@ -4177,7 +4177,7 @@ c      write (iout,*) idihconstr_start_homo,idihconstr_end_homo
       do i=idihconstr_start_homo,idihconstr_end_homo
         kat2=0.0d0
 c        betai=beta(i,i+1,i+2,i+3)
-        betai = phi(i+3)
+        betai = phi(i)
 c       write (iout,*) "betai =",betai
         do k=1,constr_homology
           dih_diff(k)=pinorm(dih(k,i)-betai)