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poprawka w intcartderiv
[unres.git]
/
source
/
unres
/
src_MD-M
/
intcartderiv.F
diff --git
a/source/unres/src_MD-M/intcartderiv.F
b/source/unres/src_MD-M/intcartderiv.F
index
369a4f0
..
5aee57e
100644
(file)
--- a/
source/unres/src_MD-M/intcartderiv.F
+++ b/
source/unres/src_MD-M/intcartderiv.F
@@
-160,6
+160,11
@@
c Obtaining the gamma derivatives from cosine derivative
endif
enddo
Calculate 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