X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fint_from_cart.f;h=c0cd6e71580fc910663065d4e7b2d3c5e7b09ed5;hb=aa037b39c46474f358b050551261d7c5ac3d2357;hp=12d0c9c0800a432dac4a9cbbf3bb9889563af8c3;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/wham/src/int_from_cart.f b/source/wham/src/int_from_cart.f index 12d0c9c..c0cd6e7 100644 --- a/source/wham/src/int_from_cart.f +++ b/source/wham/src/int_from_cart.f @@ -26,6 +26,10 @@ enddo be=0.0D0 if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1) + if (i.gt.2) tauangle(3,i+1)=beta(i+nres-1,i-1,i,i+nres) + if (i.gt.2) tauangle(1,i+1)=beta(i-1+nres,i-1,i,i+1) + if (i.gt.2) tauangle(2,i+1)=beta(i-2,i-1,i,i+nres) + omeg(i)=beta(nres+i,i,maxres2,i+1) theta(i+1)=alpha(i-1,i,i+1) alph(i)=alpha(nres+i,i,maxres2)