Revert "poprawka przy liczeniu tau w clustrze"
authorAdam Kazimierz Sieradzan <adasko@sun1.chem.univ.gda.pl>
Wed, 18 Jul 2012 09:20:17 +0000 (05:20 -0400)
committerAdam Kazimierz Sieradzan <adasko@sun1.chem.univ.gda.pl>
Wed, 18 Jul 2012 09:20:17 +0000 (05:20 -0400)
This reverts commit ffcc28c7645550e2a62c0d066271fa1ee8323310.

source/cluster/wham/src/int_from_cart1.f

index 7d266de..4f768e1 100644 (file)
@@ -24,9 +24,6 @@
         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)