From: Adam Kazimierz Sieradzan <adasko@sun1.chem.univ.gda.pl>
Date: Fri, 26 Oct 2012 09:49:16 +0000 (-0400)
Subject: liczenie tauangle
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=0b2de74525356cd5914cfe29e6c6d7700c95d996

liczenie tauangle
---

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)