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Merge branch 'lipid' of mmka.chem.univ.gda.pl:unres into lipid
[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
0b75bf0
..
562ea78
100644
(file)
--- a/
source/unres/src_MD-M/intcartderiv.F
+++ b/
source/unres/src_MD-M/intcartderiv.F
@@
-163,6
+163,11
@@
c endif
endif
enddo
Calculate derivative of Tauangle
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
#ifdef PARINTDER
do i=itau_start,itau_end
#else