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bug fix in SCcorr gradient
[unres4.git]
/
source
/
unres
/
energy.f90
diff --git
a/source/unres/energy.f90
b/source/unres/energy.f90
index
ba167a1
..
59b09b7
100644
(file)
--- a/
source/unres/energy.f90
+++ b/
source/unres/energy.f90
@@
-14089,6
+14089,11
@@
write(iout,*) "jestesmy sobie w check eint!!"
endif
enddo
!alculate derivative of Tauangle
+ do i=1,nres-1
+ do j=1,3
+ dc_norm2(j,i+nres)=-dc_norm(j,i+nres)
+ enddo
+ enddo
#ifdef PARINTDER
do i=itau_start,itau_end
#else