X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=cf4b2e2f9536683262569c6660935cb4213d61a9;hb=107ad1479c841e0b44ead7c961c78ca528be291c;hp=13267daff3bffe2fd4665b9f5318f880b1d28978;hpb=6b11276770981639785734a86248adc5e20843a6;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 13267da..cf4b2e2 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -3386,7 +3386,7 @@ 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)