X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fint_from_cart.f;h=6e220946882df82ecda62c578cd9116616e0d241;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=12d0c9c0800a432dac4a9cbbf3bb9889563af8c3;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/wham/src-M/int_from_cart.f b/source/wham/src-M/int_from_cart.f index 12d0c9c..6e22094 100644 --- a/source/wham/src-M/int_from_cart.f +++ b/source/wham/src-M/int_from_cart.f @@ -26,6 +26,9 @@ 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)