X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fenergy_p_new.F;h=7ee0e642db21142d9cb598fa1ceb5eeb5240b6b1;hb=582d0baf775d8a72f8fd25bac504c98b7f927d86;hp=3b1c09542b6aa3746a7e283915c93ce2bbe82171;hpb=eb019bcb20c83a246e4f60983322af09313f1039;p=unres.git diff --git a/source/cluster/wham/src/energy_p_new.F b/source/cluster/wham/src/energy_p_new.F index 3b1c095..7ee0e64 100644 --- a/source/cluster/wham/src/energy_p_new.F +++ b/source/cluster/wham/src/energy_p_new.F @@ -3312,7 +3312,7 @@ 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)