From 0b2de74525356cd5914cfe29e6c6d7700c95d996 Mon Sep 17 00:00:00 2001 From: Adam Kazimierz Sieradzan Date: Fri, 26 Oct 2012 05:49:16 -0400 Subject: [PATCH] liczenie tauangle --- source/wham/src/int_from_cart.f | 3 +++ 1 file changed, 3 insertions(+) diff --git a/source/wham/src/int_from_cart.f b/source/wham/src/int_from_cart.f index 12d0c9c..6e22094 100644 --- a/source/wham/src/int_from_cart.f +++ b/source/wham/src/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) -- 1.7.9.5